660490

Source:http://linkedlifedata.com/resource/chembl/compound/660490

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C24H24N4O3S/c1-14-6-5-7-18(12-14)22-20-13-19(32(25,30)31)8-9-21(20)26-23(22)24(29)27-28-16(3)10-15(2)11-17(28)4/h5-13H,1-4H3,(H3-,25,26,27,29,30,31)/p+1
chemicalCompound:standardIn...	VDGJMVWFIKQWDZ-UHFFFAOYSA-O
chemicalCompound:canonicalS...	Cc1cccc(c1)c2c([nH]c3ccc(cc23)S(=O)(=O)N)C(=O)N[n+]4c(C)cc(C)cc4C
chemicalCompound:molecularF...	C24H25N4O3S
chemicalCompound:moleculeId	660490
chemicalCompound:mwFreebase	449.545
chemicalCompound:alogp	4.34
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	117.31
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	5.992
chemicalCompound:acdLogP	1.596
chemicalCompound:acdLogD	0.996
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	449.545
chemicalCompound:chemblId	CHEMBL1186540
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:760490
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No