497000

Source:http://linkedlifedata.com/resource/chembl/compound/497000

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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/C27H39N3O6S/c1-6-19(2)17-30(37(34,35)24-14-12-23(36-5)13-15-24)18-26(32)25(16-22-10-8-7-9-11-22)29-27(33)20(3)28-21(4)31/h7-15,19-20,25-26,32H,6,16-18H2,1-5H3,(H,28,31)(H,29,33)/t19-,20-,25-,26+/m0/s1
chemicalCompound:standardIn...	AAEYXRMGOOTETM-WJQBNGMASA-N
chemicalCompound:canonicalS...	CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)C)S(=O)(=O)c2ccc(OC)cc2
chemicalCompound:molecularF...	C27H39N3O6S
chemicalCompound:moleculeId	497000
chemicalCompound:mwFreebase	533.68
chemicalCompound:alogp	2.737
chemicalCompound:hba	6
chemicalCompound:hbd	3
chemicalCompound:psa	133.42
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.496
chemicalCompound:acdLogP	3.513
chemicalCompound:acdLogD	3.513
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	533.68
chemicalCompound:chemblId	CHEMBL515772
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:597000
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:2496814, activity:2496955