497101

Source:http://linkedlifedata.com/resource/chembl/compound/497101

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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/C27H40N2O6S/c1-6-20(4)17-29(36(33,34)23-14-12-22(35-5)13-15-23)18-25(30)24(16-21-10-8-7-9-11-21)28-27(32)26(31)19(2)3/h7-15,19-20,24-26,30-31H,6,16-18H2,1-5H3,(H,28,32)/t20-,24+,25-,26+/m1/s1
chemicalCompound:standardIn...	BGGGBIPPLBDPHT-ZFILCQGISA-N
chemicalCompound:canonicalS...	CC[C@@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](O)C(C)C)S(=O)(=O)c2ccc(OC)cc2
chemicalCompound:molecularF...	C27H40N2O6S
chemicalCompound:moleculeId	497101
chemicalCompound:mwFreebase	520.681
chemicalCompound:alogp	3.848
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	124.55
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.206
chemicalCompound:acdLogP	4.848
chemicalCompound:acdLogD	4.848
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	520.681
chemicalCompound:chemblId	CHEMBL477001
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:597101
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:2496857, activity:2496912