497161

Source:http://linkedlifedata.com/resource/chembl/compound/497161

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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/C27H37N3O6S/c1-4-19(2)17-30(37(34,35)22-12-10-21(36-3)11-13-22)18-24(31)23(16-20-8-6-5-7-9-20)29-26(33)27(14-15-27)25(28)32/h5-13,19,23-24,31H,4,14-18H2,1-3H3,(H2,28,32)(H,29,33)/t19-,23+,24-/m1/s1
chemicalCompound:standardIn...	CPDKIXHDLXEZFP-VEXUSMLFSA-N
chemicalCompound:canonicalS...	CC[C@@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C2(CC2)C(=O)N)S(=O)(=O)c3ccc(OC)cc3
chemicalCompound:molecularF...	C27H37N3O6S
chemicalCompound:moleculeId	497161
chemicalCompound:mwFreebase	531.664
chemicalCompound:alogp	2.884
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	147.41
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.553
chemicalCompound:acdLogP	2.882
chemicalCompound:acdLogD	2.882
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	531.664
chemicalCompound:chemblId	CHEMBL477630
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:597161
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:2496843, activity:2496927