190863

Source:http://linkedlifedata.com/resource/chembl/compound/190863

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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/C37H31ClN2O10S/c38-25-15-22(13-20-7-4-5-12-28(20)41)32(43)23(16-25)14-21-8-6-11-27(33(21)44)37(48)50-17-24-19-51-35-30(34(45)40(35)31(24)36(46)47)39-29(42)18-49-26-9-2-1-3-10-26/h1-12,15-16,30,35,41,43-44H,13-14,17-19H2,(H,39,42)(H,46,47)/t30-,35-/m1/s1
chemicalCompound:standardIn...	VRPPKBCWJNBRGZ-QTQRRKOQSA-N
chemicalCompound:canonicalS...	OC(=O)C1=C(COC(=O)c2cccc(Cc3cc(Cl)cc(Cc4ccccc4O)c3O)c2O)CS[C@@H]5[C@H](NC(=O)COc6ccccc6)C(=O)N15
chemicalCompound:molecularF...	C37 H31 Cl N2 O10 S
chemicalCompound:moleculeId	190863
chemicalCompound:mwFreebase	731.167
chemicalCompound:alogp	5.806
chemicalCompound:hba	11
chemicalCompound:hbd	5
chemicalCompound:psa	208.22
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.53
chemicalCompound:acdLogP	5.477
chemicalCompound:acdLogD	1.64
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	731.167
chemicalCompound:chemblId	CHEMBL323835
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:290863
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:89878, activity:89879, activity:89880, activity:89881, activity:89882, activity:89883, activity:89884