153778

Source:http://linkedlifedata.com/resource/chembl/compound/153778

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/C35H40N2O3S/c1-23-18-28-31(40-22-27-15-14-26(20-36-27)25-12-8-5-9-13-25)17-16-29-32(28)33(41-23)30(19-35(2,3)34(38)39)37(29)21-24-10-6-4-7-11-24/h5,8-9,12-17,20,23-24H,4,6-7,10-11,18-19,21-22H2,1-3H3,(H,38,39)
chemicalCompound:standardIn...	RDSIBGPOQGMQJC-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1Cc2c(OCc3ccc(cn3)c4ccccc4)ccc5c2c(S1)c(CC(C)(C)C(=O)O)n5CC6CCCCC6
chemicalCompound:molecularF...	C35 H40 N2 O3 S
chemicalCompound:moleculeId	153778
chemicalCompound:mwFreebase	568.769
chemicalCompound:alogp	8.532
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	89.65
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.72
chemicalCompound:acdLogP	7.397
chemicalCompound:acdLogD	4.753
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	568.769
chemicalCompound:acdMostBpk...	3.649
chemicalCompound:chemblId	CHEMBL319661
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:253778
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:1180220, activity:1180221