398323

Source:http://linkedlifedata.com/resource/chembl/compound/398323

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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/C30H49N3O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-31-29(35)28-24-36-30(33-28)26-19-21-27(22-20-26)32-25(2)34/h11-12,19-22,28,30,33H,3-10,13-18,23-24H2,1-2H3,(H,31,35)(H,32,34)/b12-11+/t28-,30?/m0/s1
chemicalCompound:standardIn...	WIRMZKBBSRJINY-YJXXMGNMSA-N
chemicalCompound:canonicalS...	CCCCCCCCC\C=C\CCCCCCCNC(=O)[C@@H]1CSC(N1)c2ccc(NC(=O)C)cc2
chemicalCompound:molecularF...	C30 H49 N3 O2 S
chemicalCompound:moleculeId	398323
chemicalCompound:mwFreebase	515.794
chemicalCompound:alogp	7.586
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	95.53
chemicalCompound:rtb	19
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	9.829
chemicalCompound:acdLogD	9.8
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	515.794
chemicalCompound:acdMostBpk...	6.347
chemicalCompound:chemblId	CHEMBL237124
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:498323
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:1970623, activity:1970632, activity:1970647