251289

Source:http://linkedlifedata.com/resource/chembl/compound/251289

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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/C34H37N3O7S/c1-35-34(40)27-15-11-14-26(20-27)22-37-31(24-44-29-18-9-4-10-19-29)33(39)32(38)30(23-43-28-16-7-3-8-17-28)36(45(37,41)42)21-25-12-5-2-6-13-25/h2-20,30-33,38-39H,21-24H2,1H3,(H,35,40)/t30-,31-,32+,33+/m1/s1
chemicalCompound:standardIn...	CGBDAHCDSVOMCF-FYZVQMPESA-N
chemicalCompound:canonicalS...	CNC(=O)c1cccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc4ccccc4)N(Cc5ccccc5)S2(=O)=O)c1
chemicalCompound:molecularF...	C34H37N3O7S
chemicalCompound:moleculeId	251289
chemicalCompound:mwFreebase	631.738
chemicalCompound:alogp	3.455
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	137.02
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.086
chemicalCompound:acdLogP	5.016
chemicalCompound:acdLogD	5.016
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	631.738
chemicalCompound:chemblId	CHEMBL357057
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:351289
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:44367
chemicalCompound:activity	activity:183495, activity:183496, activity:183497, activity:183498