544503

Source:http://linkedlifedata.com/resource/chembl/compound/544503

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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:669523
chemicalCompound:standardIn...	InChI=1S/C34H30Cl2N6O4.ClH/c1-21-17-28(42-16-15-38-20-42)24-5-4-6-29(33(24)40-21)46-19-25-26(35)12-13-27(32(25)36)41(3)31(44)18-39-30(43)14-9-22-7-10-23(11-8-22)34(45)37-2;/h4-17,20H,18-19H2,1-3H3,(H,37,45)(H,39,43);1H/b14-9+;
chemicalCompound:standardIn...	XMZOVSJVIKPLJG-KYIGKLDSSA-N
chemicalCompound:canonicalS...	Cl.CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4c(cc(C)nc34)n5ccnc5)c2Cl)cc1
chemicalCompound:molecularF...	C34H31Cl3N6O4
chemicalCompound:moleculeId	544503
chemicalCompound:mwFreebase	657.546
chemicalCompound:alogp	4.59
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	118.44
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.451
chemicalCompound:acdLogP	2.308
chemicalCompound:acdLogD	2.307
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	694.007
chemicalCompound:acdMostBpk...	3.718
chemicalCompound:chemblId	CHEMBL554881
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:644503
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:790845, activity:790846