734209

Source:http://linkedlifedata.com/resource/chembl/compound/734209

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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/C28H26N4O4S/c1-3-32(4-2)13-14-35-27(33)19-9-11-22(12-10-19)30-17-21(16-29)26-31-24(18-37-26)23-15-20-7-5-6-8-25(20)36-28(23)34/h5-12,15,17-18,30H,3-4,13-14H2,1-2H3/b21-17-
chemicalCompound:standardIn...	DQKZJWRVKSOGPV-FXBPSFAMSA-N
chemicalCompound:canonicalS...	CCN(CC)CCOC(=O)c1ccc(N\C=C(\C#N)/c2nc(cs2)C3=Cc4ccccc4OC3=O)cc1
chemicalCompound:molecularF...	C28H26N4O4S
chemicalCompound:moleculeId	734209
chemicalCompound:mwFreebase	514.595
chemicalCompound:alogp	4.527
chemicalCompound:hba	8
chemicalCompound:hbd	1
chemicalCompound:psa	132.79
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	4.202
chemicalCompound:acdLogD	2.429
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	514.595
chemicalCompound:acdMostBpk...	9.187
chemicalCompound:chemblId	CHEMBL1310325
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:834209
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:3736055, activity:3797410, activity:3850117, activity:4112026, activity:4313430, activity:4368781, activity:4572950, activity:4733334, activity:4745517, activity:4955307, activity:5372533, activity:5413003, activity:5416756, activity:5498352, activity:5537076, activity:5540066, activity:5700028, activity:5858759, activity:5865163, activity:5869255, activity:5962564, activity:5971260, activity:6517256, activity:6554808, activity:6641289, activity:6890867, activity:6898669, activity:7065250, activity:7081605, activity:7234355, activity:7238834, activity:7343434, activity:7454303, activity:7468190, activity:9632469, activity:10550603