89734

Source:http://linkedlifedata.com/resource/chembl/compound/89734

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/C24H25NO5S/c1-12-13(2)21-19(14(3)20(12)26)17(24(4,5)30-21)11-29-16-8-6-15(7-9-16)10-18-22(27)25-23(28)31-18/h6-10,17,26H,11H2,1-5H3,(H,25,27,28)/b18-10-
chemicalCompound:standardIn...	ABOSCAPUJPXDMK-ZDLGFXPLSA-N
chemicalCompound:canonicalS...	Cc1c(C)c2OC(C)(C)C(COc3ccc(\C=C\4/SC(=O)NC4=O)cc3)c2c(C)c1O
chemicalCompound:molecularF...	C24 H25 N O5 S
chemicalCompound:moleculeId	89734
chemicalCompound:mwFreebase	439.524
chemicalCompound:alogp	5.07
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	110.16
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.601
chemicalCompound:acdLogP	4.265
chemicalCompound:acdLogD	4.055
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	439.524
chemicalCompound:chemblId	CHEMBL417958
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:189734
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:1046242, activity:1046243, activity:1047407, activity:1047408