1292514

Source:http://linkedlifedata.com/resource/chembl/compound/1292514

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C30H35N5O3/c1-19(2)25(18-36)31-28(37)21-12-8-13-22(16-21)35-27(17-26(34-35)30(3,4)5)33-29(38)32-24-15-9-11-20-10-6-7-14-23(20)24/h6-17,19,25,36H,18H2,1-5H3,(H,31,37)(H2,32,33,38)
chemicalCompound:standardIn...	LHLBQSAMDHYBJT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)C(CO)NC(=O)c1cccc(c1)n2nc(cc2NC(=O)Nc3cccc4ccccc34)C(C)(C)C
chemicalCompound:molecularF...	C30H35N5O3
chemicalCompound:moleculeId	1292514
chemicalCompound:mwFreebase	513.631
chemicalCompound:alogp	5.5
chemicalCompound:hba	4
chemicalCompound:hbd	4
chemicalCompound:psa	108.28
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.482
chemicalCompound:acdLogP	5.01
chemicalCompound:acdLogD	5.009
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	513.631
chemicalCompound:acdMostBpk...	1.333
chemicalCompound:chemblId	CHEMBL1971223
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1392514
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:9507062, activity:9507586, activity:9508172, activity:9515219, activity:9515314, activity:9515426, activity:9516269, activity:9532304, activity:9548549, activity:9548662, activity:9556339, activity:9557110, activity:9560599, activity:9578837, activity:9583423, activity:9584290, activity:9585568, activity:9588454, activity:9589456, activity:9590845, activity:9592869, activity:9595427, activity:9596685, activity:9597211, activity:9597956, activity:9602128, activity:9603609, activity:9604644, activity:9608631, activity:9612512, activity:9613175, activity:9615939, activity:9620148, activity:9620871, activity:9623557, activity:9623878, activity:9624236, activity:9624719, activity:9624885, activity:9628038, activity:9648706, activity:9648864, activity:9669724, activity:9678448, activity:9690124, activity:9694418, activity:9698658