157998

Source:http://linkedlifedata.com/resource/chembl/compound/157998

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C25H25FN6/c1-31-15-12-21(13-16-31)32-17-28-23(18-7-9-19(26)10-8-18)24(32)22-11-14-27-25(30-22)29-20-5-3-2-4-6-20/h2-11,14,17,21H,12-13,15-16H2,1H3,(H,27,29,30)
chemicalCompound:standardIn...	DOJXCIZDAFPMQV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1CCC(CC1)n2cnc(c3ccc(F)cc3)c2c4ccnc(Nc5ccccc5)n4
chemicalCompound:molecularF...	C25H25FN6
chemicalCompound:moleculeId	157998
chemicalCompound:mwFreebase	428.505
chemicalCompound:alogp	4.717
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	58.87
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.906
chemicalCompound:acdLogD	2.662
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	428.505
chemicalCompound:acdMostBpk...	8.654
chemicalCompound:chemblId	CHEMBL318892
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:257998
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:405576, activity:405577, activity:7361779, activity:8061650, activity:8061651, activity:8061652, activity:8061653, activity:8061654, activity:8061655, activity:8061656, activity:8061657, activity:8061658, activity:8061659, activity:8061660, activity:8061661, activity:8061662, activity:8061663, activity:8061664, activity:8061665, activity:8061666, activity:8061667, activity:8061668, activity:8061669, activity:8061670, activity:8061671, activity:8061672, activity:8061673, activity:8061674, activity:8061675, activity:8061676, activity:8061677, activity:8061678, activity:8061679, activity:8061680, activity:8061681, activity:8061682, activity:8061683, activity:8061684, activity:8061685, activity:8061686, activity:8061687, activity:8061688, activity:8061689, activity:8061690, activity:8061691, activity:8061692, activity:8061693, activity:8061694, activity:8061695, activity:8061696, activity:8061697, activity:8061698, activity:8061699, activity:8061700, activity:8061701, activity:8061702, activity:8061703, activity:8061704, activity:8061705, activity:8061706, activity:8061707, activity:8061708, activity:8061709, activity:8061710, activity:8061711, activity:8061712, activity:8061713