225549

Source:http://linkedlifedata.com/resource/chembl/compound/225549

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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/C27H29N3O4S/c1-18(2)14-25(30-35(33,34)26-13-7-9-19-8-3-4-11-23(19)26)27(32)29-21(17-31)15-20-16-28-24-12-6-5-10-22(20)24/h3-13,16-18,21,25,28,30H,14-15H2,1-2H3,(H,29,32)/t21-,25+/m1/s1
chemicalCompound:standardIn...	KBNKMZOCQXORFK-BWKNWUBXSA-N
chemicalCompound:canonicalS...	CC(C)C[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N[C@H](Cc3c[nH]c4ccccc34)C=O
chemicalCompound:molecularF...	C27 H29 N3 O4 S
chemicalCompound:moleculeId	225549
chemicalCompound:mwFreebase	491.602
chemicalCompound:alogp	4.262
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	116.51
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.248
chemicalCompound:acdLogP	4.268
chemicalCompound:acdLogD	4.253
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	491.602
chemicalCompound:chemblId	CHEMBL341577
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:325549
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:335121, activity:335122, activity:335123