543556

Source:http://linkedlifedata.com/resource/chembl/compound/543556

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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:667244
chemicalCompound:standardIn...	InChI=1S/C26H33ClN4O3S.ClH/c1-4-18-17-20(27)24(34-3)22(23(18)33-2)26(32)28-11-7-8-12-30-13-15-31(16-14-30)25-19-9-5-6-10-21(19)35-29-25;/h5-6,9-10,17H,4,7-8,11-16H2,1-3H3,(H,28,32);1H
chemicalCompound:standardIn...	MXSJTEJSEQVJSE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CCc1cc(Cl)c(OC)c(C(=O)NCCCCN2CCN(CC2)c3nsc4ccccc34)c1OC
chemicalCompound:molecularF...	C26H34Cl2N4O3S
chemicalCompound:moleculeId	543556
chemicalCompound:mwFreebase	517.083
chemicalCompound:alogp	5.153
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	95.17
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.985
chemicalCompound:acdLogP	4.321
chemicalCompound:acdLogD	3.574
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	553.544
chemicalCompound:acdMostBpk...	8.254
chemicalCompound:chemblId	CHEMBL544675
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:643556
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:1011034, activity:1011035, activity:1011036, activity:1011037, activity:1011038