396897

Source:http://linkedlifedata.com/resource/chembl/compound/396897

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C21H19N2O7P/c24-18(11-19(25)31(28,29)30)17-14-22(12-15-7-3-1-4-8-15)21(27)23(20(17)26)13-16-9-5-2-6-10-16/h1-11,14,25H,12-13H2,(H2,28,29,30)/b19-11+
chemicalCompound:standardIn...	ZKWXLUXACFXOEX-YBFXNURJSA-N
chemicalCompound:canonicalS...	O\C(=C/C(=O)C1=CN(Cc2ccccc2)C(=O)N(Cc3ccccc3)C1=O)\P(=O)(O)O
chemicalCompound:molecularF...	C21 H19 N2 O7 P
chemicalCompound:moleculeId	396897
chemicalCompound:mwFreebase	442.359
chemicalCompound:alogp	1.948
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	145.26
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	1.651
chemicalCompound:acdLogP	0
chemicalCompound:acdLogD	-4.454
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	442.359
chemicalCompound:chemblId	CHEMBL429790
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:496897
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:1963828, activity:1963830, activity:1963832, activity:1963834, activity:1963836, activity:1963838, activity:1963839