5637

Source:http://linkedlifedata.com/resource/chembl/compound/5637

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/C29H35N7O5S2/c1-3-16-35-27-25(28(39)36(17-4-2)29(35)40)33-26(34-27)20-8-10-21(11-9-20)41-19-23(38)31-15-14-30-22(37)12-18-42-43-24-7-5-6-13-32-24/h5-11,13H,3-4,12,14-19H2,1-2H3,(H,30,37)(H,31,38)(H,33,34)
chemicalCompound:standardIn...	ZXWRZUMNHWSAME-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCN1C(=O)N(CCC)c2[nH]c(nc2C1=O)c3ccc(OCC(=O)NCCNC(=O)CCSSc4ccccn4)cc3
chemicalCompound:molecularF...	C29 H35 N7 O5 S2
chemicalCompound:moleculeId	5637
chemicalCompound:mwFreebase	625.762
chemicalCompound:alogp	3.607
chemicalCompound:hba	9
chemicalCompound:hbd	3
chemicalCompound:psa	200.22
chemicalCompound:rtb	16
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.243
chemicalCompound:acdLogP	3.793
chemicalCompound:acdLogD	3.735
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	625.762
chemicalCompound:acdMostBpk...	1.829
chemicalCompound:chemblId	CHEMBL9239
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:105637
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:775216, activity:775217, activity:775218