1015616

Source:http://linkedlifedata.com/resource/chembl/compound/1015616

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1048657
chemicalCompound:standardIn...	InChI=1S/C29H34N4O3S2.ClH/c1-21-18-22(2)27-26(19-21)30-29(37-27)33(17-9-16-31(3)4)28(34)24-12-14-25(15-13-24)38(35,36)32(5)20-23-10-7-6-8-11-23;/h6-8,10-15,18-19H,9,16-17,20H2,1-5H3;1H
chemicalCompound:standardIn...	JJWRUUHXDWVEBR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N(C)Cc2ccccc2)c3nc4cc(C)cc(C)c4s3
chemicalCompound:molecularF...	C29H35ClN4O3S2
chemicalCompound:moleculeId	1015616
chemicalCompound:mwFreebase	550.735
chemicalCompound:alogp	5.32
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	110.43
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	6.199
chemicalCompound:acdLogD	4.406
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	587.196
chemicalCompound:acdMostBpk...	9.17
chemicalCompound:chemblId	CHEMBL1591732
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1115616
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:3797224, activity:4267875, activity:5334878, activity:5357473, activity:5399407, activity:5412932, activity:5498245, activity:5710931, activity:5801922, activity:5865125, activity:5889107, activity:6502085, activity:6633420, activity:7009635, activity:7051083, activity:7096152, activity:7303610, activity:7350593, activity:7447562