738635

Source:http://linkedlifedata.com/resource/chembl/compound/738635

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:37266
chemicalCompound:standardIn...	InChI=1S/C20H24ClN3S.2C4H4O4/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24;25-3(6)1-2-4(7)8/h2-3,5-8,15H,4,9-14H2,1H3;21-2H,(H,5,6)(H,7,8)/b;2*2-1-
chemicalCompound:standardIn...	DSKIOWHQLUWFLG-SPIKMXEPSA-N
chemicalCompound:canonicalS...	CN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1.OC(=O)\C=C/C(=O)O.OC(=O)\C=C/C(=O)O
chemicalCompound:molecularF...	C28H32ClN3O8S
chemicalCompound:moleculeId	738635
chemicalCompound:mwFreebase	373.943
chemicalCompound:alogp	4.697
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	35.02
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.646
chemicalCompound:acdLogD	4.042
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	606.087
chemicalCompound:acdMostBpk...	7.655
chemicalCompound:chemblId	CHEMBL1314751
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:838635
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:8436
chemicalCompound:activity	activity:3622638, activity:3634120, activity:3695062, activity:3711281, activity:3873277, activity:3940438, activity:3943561, activity:3987904, activity:4010803, activity:4084632, activity:4278383, activity:4358208, activity:4402392, activity:4416837, activity:4421781, activity:4535706, activity:4537568, activity:4559840, activity:4701377, activity:4920555, activity:4966261, activity:5061218, activity:5339011, activity:5570109, activity:5855685, activity:5875770, activity:5983380, activity:6756931, activity:6797431, activity:7005099, activity:7330838, activity:7537875