624021

Source:http://linkedlifedata.com/resource/chembl/compound/624021

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/C31H39N3O6S/c1-21(2)25-12-8-13-26(22(3)4)28(25)40-41(36,37)33-30(35)31(23-10-7-11-24(20-23)38-5)15-18-34(19-16-31)29-27(39-6)14-9-17-32-29/h7-14,17,20-22H,15-16,18-19H2,1-6H3,(H,33,35)
chemicalCompound:standardIn...	DVKGJUIPWZMAJN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cccc(c1)C2(CCN(CC2)c3ncccc3OC)C(=O)NS(=O)(=O)Oc4c(cccc4C(C)C)C(C)C
chemicalCompound:molecularF...	C31H39N3O6S
chemicalCompound:moleculeId	624021
chemicalCompound:mwFreebase	581.723
chemicalCompound:alogp	6.049
chemicalCompound:hba	8
chemicalCompound:hbd	1
chemicalCompound:psa	115.44
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.987
chemicalCompound:acdLogP	4.979
chemicalCompound:acdLogD	2.479
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	581.723
chemicalCompound:acdMostBpk...	11.68
chemicalCompound:chemblId	CHEMBL1092672
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:724021
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:3236513, activity:3236535, activity:3238825