199391

Source:http://linkedlifedata.com/resource/chembl/compound/199391

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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/C35H40N4O7S/c1-21-15-28-32(39-47-38-28)22(2)33(21)44-20-31(41)36-25(16-23-9-5-3-6-10-23)18-29(40)27(17-24-11-7-4-8-12-24)37-35(42)46-30-19-45-34-26(30)13-14-43-34/h3-12,15,25-27,29-30,34,40H,13-14,16-20H2,1-2H3,(H,36,41)(H,37,42)/t25-,26?,27-,29-,30-,34?/m0/s1
chemicalCompound:standardIn...	CFPVBPQFOFTTGF-CXJOPVEPSA-N
chemicalCompound:canonicalS...	Cc1cc2nsnc2c(C)c1OCC(=O)N[C@H](C[C@H](O)[C@H](Cc3ccccc3)NC(=O)O[C@H]4COC5OCCC45)Cc6ccccc6
chemicalCompound:molecularF...	C35 H40 N4 O7 S
chemicalCompound:moleculeId	199391
chemicalCompound:mwFreebase	660.78
chemicalCompound:alogp	5.209
chemicalCompound:hba	9
chemicalCompound:hbd	3
chemicalCompound:psa	169.37
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.532
chemicalCompound:acdLogP	4.163
chemicalCompound:acdLogD	4.163
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	660.78
chemicalCompound:acdMostBpk...	0.674
chemicalCompound:chemblId	CHEMBL333556
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:299391
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:91328, activity:91329, activity:91330