224817

Source:http://linkedlifedata.com/resource/chembl/compound/224817

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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/C30H27N3O4S/c34-20-24(18-23-19-31-27-15-7-6-13-25(23)27)32-30(35)28(17-21-9-2-1-3-10-21)33-38(36,37)29-16-8-12-22-11-4-5-14-26(22)29/h1-16,19-20,24,28,31,33H,17-18H2,(H,32,35)/t24-,28+/m1/s1
chemicalCompound:standardIn...	JGJXIKNPRCLINN-YWEHKCAJSA-N
chemicalCompound:canonicalS...	O=C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc3ccccc3)NS(=O)(=O)c4cccc5ccccc45
chemicalCompound:molecularF...	C30 H27 N3 O4 S
chemicalCompound:moleculeId	224817
chemicalCompound:mwFreebase	525.618
chemicalCompound:alogp	4.586
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	116.51
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.183
chemicalCompound:acdLogP	4.921
chemicalCompound:acdLogD	4.903
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	525.618
chemicalCompound:chemblId	CHEMBL334405
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:324817
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:315975, activity:315976, activity:315977