544579

Source:http://linkedlifedata.com/resource/chembl/compound/544579

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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:669231
chemicalCompound:standardIn...	InChI=1S/C30H27Cl2N5O4.ClH/c1-18-15-34-23-5-4-6-25(29(23)36-18)41-17-21-22(31)12-13-24(28(21)32)37(3)27(39)16-35-26(38)14-9-19-7-10-20(11-8-19)30(40)33-2;/h4-15H,16-17H2,1-3H3,(H,33,40)(H,35,38);1H/b14-9+;
chemicalCompound:standardIn...	AFSNDUSSWFDOIU-KYIGKLDSSA-N
chemicalCompound:canonicalS...	Cl.CNC(=O)c1ccc(\C=C\C(=O)NCC(=O)N(C)c2ccc(Cl)c(COc3cccc4ncc(C)nc34)c2Cl)cc1
chemicalCompound:molecularF...	C30H28Cl3N5O4
chemicalCompound:moleculeId	544579
chemicalCompound:mwFreebase	592.472
chemicalCompound:alogp	4.199
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	113.51
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.449
chemicalCompound:acdLogP	2.565
chemicalCompound:acdLogD	2.565
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	628.933
chemicalCompound:acdMostBpk...	0.55
chemicalCompound:chemblId	CHEMBL554206
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:644579
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:157926, activity:157927, activity:157928, activity:823457, activity:823458