643277

Source:http://linkedlifedata.com/resource/chembl/compound/643277

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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/C27H37N3O8S/c1-13(2)15(5)23(34)29-25(36)21(33)19(31)20(32)22(26(37)30-24(35)16(6)14(3)4)38-18-9-7-17(8-10-18)27-28-11-12-39-27/h7-16,19-22,31-33H,1-6H3,(H,29,34,36)(H,30,35,37)/t15-,16-,19+,20+,21+,22+/m0/s1
chemicalCompound:standardIn...	ZTFIVHPCQBGGPZ-UHCOOQJHSA-N
chemicalCompound:canonicalS...	CC(C)[C@H](C)C(=O)NC(=O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](Oc1ccc(cc1)c2nccs2)C(=O)NC(=O)[C@@H](C)C(C)C
chemicalCompound:molecularF...	C27H37N3O8S
chemicalCompound:moleculeId	643277
chemicalCompound:mwFreebase	563.663
chemicalCompound:alogp	2.266
chemicalCompound:hba	9
chemicalCompound:hbd	5
chemicalCompound:psa	203.38
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.647
chemicalCompound:acdLogP	2.679
chemicalCompound:acdLogD	2.678
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	563.663
chemicalCompound:acdMostBpk...	2.395
chemicalCompound:chemblId	CHEMBL1161738
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:743277
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:1485775, activity:1485776, activity:1485777, activity:1485778, activity:1485779