201

Source:http://linkedlifedata.com/resource/chembl/compound/201

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C13H17NO7S/c1-13(2)9(12(17)18)14-10(16)7(11(14)22(13,19)20)5-4-6-8(15)21-3/h4,6-7,9,11H,5H2,1-3H3,(H,17,18)/b6-4+/t7?,9-,11+/m0/s1
chemicalCompound:standardIn...	WHIIGHHQWOXKEP-ASQRRCTNSA-N
chemicalCompound:canonicalS...	COC(=O)\C=C\CC1[C@@H]2N([C@@H](C(=O)O)C(C)(C)S2(=O)=O)C1=O
chemicalCompound:molecularF...	C13 H17 N O7 S
chemicalCompound:moleculeId	201
chemicalCompound:mwFreebase	331.342
chemicalCompound:alogp	0.085
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	126.43
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.554
chemicalCompound:acdLogP	1.186
chemicalCompound:acdLogD	-2.531
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	331.342
chemicalCompound:chemblId	CHEMBL6309
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100201
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:1122504, activity:1122505, activity:1122506