497223

Source:http://linkedlifedata.com/resource/chembl/compound/497223

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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/C29H36N2O7S/c1-4-20(2)18-31(39(36,37)24-13-11-23(38-3)12-14-24)19-28(34)25(16-21-8-6-5-7-9-21)30-29(35)22-10-15-26(32)27(33)17-22/h5-15,17,20,25,28,32-34H,4,16,18-19H2,1-3H3,(H,30,35)/t20-,25-,28+/m0/s1
chemicalCompound:standardIn...	ZYESTXSVIQIQSJ-OOYKWLJTSA-N
chemicalCompound:canonicalS...	CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c2ccc(O)c(O)c2)S(=O)(=O)c3ccc(OC)cc3
chemicalCompound:molecularF...	C29H36N2O7S
chemicalCompound:moleculeId	497223
chemicalCompound:mwFreebase	556.67
chemicalCompound:alogp	4.374
chemicalCompound:hba	7
chemicalCompound:hbd	4
chemicalCompound:psa	144.78
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.307
chemicalCompound:acdLogP	5.221
chemicalCompound:acdLogD	5.142
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	556.67
chemicalCompound:chemblId	CHEMBL473047
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:597223
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:2496853, activity:2496916