229687

Source:http://linkedlifedata.com/resource/chembl/compound/229687

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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/C30H32N4O3S/c1-21-8-6-7-11-23(21)19-34-20-31-17-25(34)18-32-24-12-13-26(27(16-24)22-9-4-3-5-10-22)29(35)33-28(30(36)37)14-15-38-2/h3-13,16-17,20,28,32H,14-15,18-19H2,1-2H3,(H,33,35)(H,36,37)/t28-/m0/s1
chemicalCompound:standardIn...	ZTQZCCKWWMRVIS-NDEPHWFRSA-N
chemicalCompound:canonicalS...	CSCC[C@H](NC(=O)c1ccc(NCc2cncn2Cc3ccccc3C)cc1c4ccccc4)C(=O)O
chemicalCompound:molecularF...	C30 H32 N4 O3 S
chemicalCompound:moleculeId	229687
chemicalCompound:mwFreebase	528.665
chemicalCompound:alogp	4.482
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	121.55
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.534
chemicalCompound:acdLogP	3.825
chemicalCompound:acdLogD	0.472
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	528.665
chemicalCompound:acdMostBpk...	6.178
chemicalCompound:chemblId	CHEMBL335786
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:329687
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:1198993, activity:1198994, activity:1198995, activity:1198996