149878

Source:http://linkedlifedata.com/resource/chembl/compound/149878

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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/C29H27ClN4O8/c1-39-24-11-17-10-22(32-25(17)27(41-3)26(24)40-2)28(35)33-14-18(13-30)21-9-6-19(12-23(21)33)31-29(36)42-15-16-4-7-20(8-5-16)34(37)38/h4-12,18,32H,13-15H2,1-3H3,(H,31,36)
chemicalCompound:standardIn...	YWYPFRDDRJYERQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc2cc([nH]c2c(OC)c1OC)C(=O)N3CC(CCl)c4ccc(NC(=O)OCc5ccc(cc5)[N+](=O)[O-])cc34
chemicalCompound:molecularF...	C29 H27 Cl N4 O8
chemicalCompound:moleculeId	149878
chemicalCompound:mwFreebase	595
chemicalCompound:alogp	4.976
chemicalCompound:hba	8
chemicalCompound:hbd	2
chemicalCompound:psa	147.93
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.699
chemicalCompound:acdLogP	3.678
chemicalCompound:acdLogD	3.678
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	595
chemicalCompound:acdMostBpk...	0.293
chemicalCompound:chemblId	CHEMBL91751
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:249878
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:1249000, activity:1249001, activity:1249002, activity:1249003