1018600

Source:http://linkedlifedata.com/resource/chembl/compound/1018600

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C30H31ClN4O4/c1-2-21-14-16-23(17-15-21)33-28(37)20-35-26-12-6-4-10-24(26)29(38)34(30(35)39)18-8-7-13-27(36)32-19-22-9-3-5-11-25(22)31/h3-6,9-12,14-17H,2,7-8,13,18-20H2,1H3,(H,32,36)(H,33,37)
chemicalCompound:standardIn...	KWGYDHXODIKWTL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCc1ccc(NC(=O)CN2C(=O)N(CCCCC(=O)NCc3ccccc3Cl)C(=O)c4ccccc24)cc1
chemicalCompound:molecularF...	C30H31ClN4O4
chemicalCompound:moleculeId	1018600
chemicalCompound:mwFreebase	547.045
chemicalCompound:alogp	4.888
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	98.82
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.933
chemicalCompound:acdLogP	5.74
chemicalCompound:acdLogD	5.74
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	547.045
chemicalCompound:acdMostBpk...	1.033
chemicalCompound:chemblId	CHEMBL1594716
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1118600
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:3942918, activity:7337811