63208

Source:http://linkedlifedata.com/resource/chembl/compound/63208

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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/C17H25N3O4S2/c1-9-12-11(10(2)21)15(22)19(12)13(16(23)24)14(9)26-17(25)18-5-7-20(3,4)8-6-18/h9-12,21H,5-8H2,1-4H3/p+1/t9-,10-,11-,12-/m1/s1
chemicalCompound:standardIn...	UMXBLLZQWXCGJQ-DDHJBXDOSA-O
chemicalCompound:canonicalS...	C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(=C(N2C1=O)C(=O)O)SC(=S)N3CC[N+](C)(C)CC3
chemicalCompound:molecularF...	C17 H26 N3 O4 S2
chemicalCompound:moleculeId	63208
chemicalCompound:mwFreebase	400.536
chemicalCompound:alogp	-0.326
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	138.47
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	4.112
chemicalCompound:acdLogP	-5.596
chemicalCompound:acdLogD	-4.996
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	400.536
chemicalCompound:chemblId	CHEMBL43960
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:163208
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:1233226, activity:1233227, activity:1233228, activity:1233229, activity:1233230, activity:1233231, activity:1233232, activity:1233233