866613

Source:http://linkedlifedata.com/resource/chembl/compound/866613

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/C20H24N2OS2/c1-5-13-22-18(23)16(25-19(22)24)11-12-17-20(3,4)14-9-7-8-10-15(14)21(17)6-2/h7-12H,5-6,13H2,1-4H3/b16-11-,17-12-
chemicalCompound:standardIn...	XHJPGKJKEHAANQ-LSQIQBGYSA-N
chemicalCompound:canonicalS...	CCCN1C(=S)S\C(=C/C=C/2\N(CC)c3ccccc3C2(C)C)\C1=O
chemicalCompound:molecularF...	C20H24N2OS2
chemicalCompound:moleculeId	866613
chemicalCompound:mwFreebase	372.547
chemicalCompound:alogp	5.263
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	80.94
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	5.641
chemicalCompound:acdLogD	5.641
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	372.547
chemicalCompound:acdMostBpk...	0.647
chemicalCompound:chemblId	CHEMBL1442729
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:966613
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:3615331, activity:3765708, activity:3790422, activity:3891522, activity:3982966, activity:4000703, activity:4046873, activity:4232845, activity:4578426, activity:4594092, activity:5355000, activity:5406143, activity:5500912, activity:5684069, activity:5694560, activity:5797507, activity:5963669, activity:6581295, activity:6660603, activity:6744578, activity:6897808, activity:6984999, activity:7172952, activity:7236493, activity:7312219, activity:7512274, activity:9829241, activity:10585753