Statements in which the resource exists as a subject.
PredicateObject
rdf:type
chemicalCompound:synonym
chemicalCompound:standardIn...
InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)
chemicalCompound:standardIn...
FBOZXECLQNJBKD-UHFFFAOYSA-N
chemicalCompound:canonicalS...
CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O
chemicalCompound:molecularF...
C20H22N8O5
chemicalCompound:moleculeId
1413
chemicalCompound:mwFreebase
454.439
chemicalCompound:alogp
0.114
chemicalCompound:hba
12
chemicalCompound:hbd
5
chemicalCompound:psa
210.54
chemicalCompound:rtb
9
chemicalCompound:ro3Pass
N
chemicalCompound:numRo5viol...
1
chemicalCompound:medChemFri...
Y
chemicalCompound:acdMostApk...
3.474
chemicalCompound:acdLogP
-0.446
chemicalCompound:acdLogD
-5.101
chemicalCompound:molecularS...
chemicalCompound:fullMwt
454.439
chemicalCompound:acdMostBpk...
5.55
chemicalCompound:chemblId
CHEMBL426
chemicalCompound:maxPhase
4
chemicalCompound:therapeuti...
1
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
chemicalCompound:chebi
chemicalCompound:moleculeTy...
chemicalCompound:oral
Yes
chemicalCompound:parenteral
Yes
chemicalCompound:topical
No
chemicalCompound:blackBoxWa...
Yes
chemicalCompound:naturalPro...
Yes
chemicalCompound:proDrug
No
chemicalCompound:prefName
METHOTREXATE
chemicalCompound:activity
activity:32530, activity:35642, activity:35643, activity:35644, activity:66983, activity:66984, activity:66985, activity:66986, activity:73582, activity:73583, activity:73584, activity:80716, activity:80717, activity:80718, activity:80719, activity:80720, activity:80721, activity:80722, activity:80723, activity:80724, activity:80725, activity:80726, activity:80727, activity:80728, activity:80729, activity:80730, activity:80731, activity:80732, activity:80733, activity:80734, activity:80735, activity:80736, activity:80737, activity:80738, activity:80739, activity:80740, activity:80741, activity:80742, activity:80743, activity:80744, activity:80745, activity:80746, activity:80747, activity:81456, activity:81457, activity:94086, activity:94087, activity:94088, activity:94089, activity:94090, activity:94091, activity:94092, activity:94093, activity:94094, activity:94095, activity:94096, activity:101648, activity:101649, activity:101650, activity:101651, activity:101652, activity:101653, activity:101654, activity:101655, activity:101656, activity:101657, activity:101658, activity:101659, activity:101660, activity:101661, activity:101662, activity:101663, activity:103513, activity:112856, activity:112857, activity:112858, activity:112859, activity:112860, activity:112861, activity:112862, activity:112863, activity:112864, activity:112865, activity:112866, activity:112867, activity:112868, activity:112869, activity:112870, activity:112871, activity:112872, activity:112873, activity:112874, activity:112875, activity:112876, activity:112877, activity:112878, activity:112879, activity:135458, activity:135459, activity:137734, activity:137735, activity:150786, activity:150787, activity:150788, activity:151921, activity:155781, activity:155782, activity:155783, activity:162797, activity:162798, activity:162799, activity:162800, activity:162801, activity:162802, activity:162803, activity:162804, activity:162805, activity:162806, activity:162807, activity:162808, activity:162809, activity:162810, activity:162811, activity:162812, activity:162813, activity:162814, activity:162815, activity:162816, activity:162817, activity:162818, activity:162819, activity:162820, activity:162821, activity:162822, activity:162823, activity:162824, activity:162825, activity:162826, activity:162827, activity:162828, activity:162829, activity:162830, activity:162831, activity:162832, activity:162833, activity:162834, activity:162835, activity:162836, activity:162837, activity:162838, activity:162839, activity:162840, activity:162841, activity:162842, activity:162843, activity:162844, activity:162845, activity:162846, activity:162847, activity:176396, activity:176397, activity:181370, activity:181371, activity:181372
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