87376

Source:http://linkedlifedata.com/resource/chembl/compound/87376

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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/C25H30N6O2/c26-21(15-17-7-2-1-3-8-17)23(32)31-22(11-6-14-29-25(27)28)24(33)30-20-13-12-18-9-4-5-10-19(18)16-20/h1-5,7-10,12-13,16,21-22H,6,11,14-15,26H2,(H,30,33)(H,31,32)(H4,27,28,29)/t21-,22-/m0/s1
chemicalCompound:standardIn...	ZNHUFUZDUQRKBB-VXKWHMMOSA-N
chemicalCompound:canonicalS...	N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc2ccc3ccccc3c2
chemicalCompound:molecularF...	C25H30N6O2
chemicalCompound:moleculeId	87376
chemicalCompound:mwFreebase	446.545
chemicalCompound:alogp	1.811
chemicalCompound:hba	4
chemicalCompound:hbd	6
chemicalCompound:psa	146.12
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.694
chemicalCompound:acdLogP	2.898
chemicalCompound:acdLogD	0.79
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	446.545
chemicalCompound:acdMostBpk...	13.336
chemicalCompound:chemblId	CHEMBL56252
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:187376
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	PABETAN
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:44034
chemicalCompound:activity	activity:44264, activity:44265, activity:44266, activity:44267, activity:581762, activity:581763, activity:581764, activity:581765, activity:581766, activity:581767, activity:581768, activity:581769, activity:581770, activity:581771, activity:581772, activity:581773, activity:581774, activity:581775, activity:581776, activity:581777, activity:581778, activity:581779, activity:581780, activity:581781, activity:581782, activity:581783, activity:581784, activity:581785, activity:581786, activity:581787, activity:1157576, activity:1157577, activity:2496059, activity:2496060, activity:3482243, activity:3482244, activity:3482245, activity:3482246, activity:3482247, activity:3482248, activity:3482249, activity:3482250, activity:3482251, activity:3482252, activity:3482253, activity:3482254, activity:3482255, activity:3482256, activity:3482257, activity:3482258, activity:3482259, activity:3482260, activity:3482261, activity:3482262, activity:3482263, activity:3493733, activity:3493734, activity:3493735, activity:3493736, activity:3493737, activity:3493738, activity:3493739, activity:3493740, activity:5084881