Statements in which the resource exists as a subject.
PredicateObject
rdf:type
chemicalCompound:parent
chemicalCompound:standardIn...
InChI=1S/C22H16N4O3.ClH/c23-21(27)13-4-6-14(7-5-13)22-25-19(20(26-22)16-3-1-2-10-24-16)15-8-9-17-18(11-15)29-12-28-17;/h1-11H,12H2,(H2,23,27)(H,25,26);1H
chemicalCompound:standardIn...
DUZCSXXJVYCEKF-UHFFFAOYSA-N
chemicalCompound:canonicalS...
Cl.NC(=O)c1ccc(cc1)c2nc(c3ccccn3)c([nH]2)c4ccc5OCOc5c4
chemicalCompound:molecularF...
C22H17ClN4O3
chemicalCompound:moleculeId
1249149
chemicalCompound:mwFreebase
384.387
chemicalCompound:alogp
3.447
chemicalCompound:hba
5
chemicalCompound:hbd
2
chemicalCompound:psa
103.12
chemicalCompound:rtb
4
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
0
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
10.144
chemicalCompound:acdLogP
2.368
chemicalCompound:acdLogD
2.368
chemicalCompound:molecularS...
chemicalCompound:fullMwt
420.848
chemicalCompound:acdMostBpk...
2.237
chemicalCompound:chemblId
CHEMBL1909378
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
chemicalCompound:chebi
chemicalCompound:moleculeTy...
chemicalCompound:oral
No
chemicalCompound:parenteral
No
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
No
chemicalCompound:naturalPro...
No
chemicalCompound:proDrug
No
chemicalCompound:activity
activity:8063596, activity:8063597, activity:8063598, activity:8063599, activity:8063600, activity:8063601, activity:8063602, activity:8063603, activity:8063604, activity:8063605, activity:8063606, activity:8063607, activity:8063608, activity:8063609, activity:8063610, activity:8063611, activity:8063612, activity:8063613, activity:8063614, activity:8063615, activity:8063616, activity:8063617, activity:8063618, activity:8063619, activity:8063620, activity:8063621, activity:8063622, activity:8063623, activity:8063624, activity:8063625, activity:8063626, activity:8063627, activity:8063628, activity:8063629, activity:8063630, activity:8063631, activity:8063632, activity:8063633, activity:8063634, activity:8063635, activity:8063636, activity:8063637, activity:8063638, activity:8063639, activity:8063640, activity:8063641, activity:8063642, activity:8063643, activity:8063644, activity:8063645, activity:8063646, activity:8063647, activity:8063648, activity:8063649, activity:8063650, activity:8063651, activity:8063652, activity:8063653, activity:8063654, activity:8063655, activity:8063656, activity:8063657, activity:8063658, activity:8063659, activity:8063660, activity:8063661, activity:8063662, activity:8063663, activity:8063664, activity:8063665, activity:8063666, activity:8063667, activity:8063668, activity:8063669, activity:8063670, activity:8063671, activity:8063672, activity:8063673, activity:8063674, activity:8063675, activity:8063676, activity:8063677, activity:8063678, activity:8063679, activity:8063680, activity:8063681, activity:8063682, activity:8063683, activity:8063684, activity:8063685, activity:8063686, activity:8063687, activity:8063688, activity:8063689, activity:8063690, activity:8063691, activity:8063692, activity:8063693, activity:8063694, activity:8063695, activity:8063696, activity:8063697, activity:8063698, activity:8063699, activity:8063700, activity:8063701, activity:8063702, activity:8063703, activity:8063704, activity:8063705, activity:8063706, activity:8063707, activity:8063708, activity:8063709, activity:8063710, activity:8063711, activity:8063712, activity:8063713, activity:8063714, activity:8063715, activity:8063716, activity:8063717, activity:8063718, activity:8063719, activity:8063720, activity:8063721, activity:8063722, activity:8063723, activity:8063724, activity:8063725, activity:8063726, activity:8063727, activity:8063728, activity:8063729, activity:8063730, activity:8063731, activity:8063732, activity:8063733, activity:8063734, activity:8063735, activity:8063736, activity:8063737, activity:8063738, activity:8063739, activity:8063740, activity:8063741, activity:8063742, activity:8063743, activity:8063744, activity:8063745, activity:8063746, activity:8063747, activity:8063748, activity:8063749, activity:8063750, activity:8063751, activity:8063752, activity:8063753, activity:8063754, activity:8063755, activity:8063756, activity:8063757, activity:8063758, activity:8063759, activity:8063760, activity:8063761, activity:8063762, activity:8063763, activity:8063764, activity:8063765, activity:8063766, activity:8063767, activity:8063768, activity:8063769, activity:8063770, activity:8063771, activity:8063772, activity:8063773, activity:8063774, activity:8063775, activity:8063776, activity:8063777, activity:8063778, activity:8063779, activity:8063780, activity:8063781, activity:8063782, activity:8063783, activity:8063784, activity:8063785, activity:8063786, activity:8063787, activity:8063788, activity:8063789, activity:8063790, activity:8063791, activity:8063792, activity:8063793, activity:8063794, activity:8063795, activity:8063796, activity:8063797, activity:8063798, activity:8063799, activity:8063800, activity:8063801, activity:8063802, activity:8063803, activity:8063804, activity:8063805, activity:8063806, activity:8063807, activity:8063808, activity:8063809, activity:8063810, activity:8063811, activity:8063812, activity:8063813, activity:8063814, activity:8063815, activity:8063816, activity:8063817, activity:8063818, activity:8063819, activity:8063820, activity:8063821, activity:8063822, activity:8063823, activity:8063824, activity:8063825, activity:8063826, activity:8063827, activity:8063828, activity:8063829, activity:8063830, activity:8063831, activity:8063832, activity:8063833, activity:8063834, activity:8063835, activity:8063836, activity:8063837, activity:8063838, activity:8063839, activity:8065215, activity:8065216, activity:8065217, activity:8065218, activity:8065219, activity:8065220, activity:8065221, activity:8065222, activity:8065223, activity:8065224, activity:8065225, activity:8065226, activity:8065227, activity:8065228, activity:8065229, activity:8065230, activity:8065231, activity:8065232, activity:8065233, activity:8065234, activity:8065235
More...