124180

Source:http://linkedlifedata.com/resource/chembl/compound/124180

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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/C20H15N3O6/c1-2-20(26)13-7-15-17-11(8-22(15)18(24)12(13)9-29-19(20)25)6-10-4-3-5-14(23(27)28)16(10)21-17/h3-7,26H,2,8-9H2,1H3/t20-/m0/s1
chemicalCompound:standardIn...	XQHHKVBMHNTWSH-FQEVSTJZSA-N
chemicalCompound:canonicalS...	CC[C@@]1(O)C(=O)OCC2=C1C=C3N(Cc4cc5cccc(c5nc34)[N+](=O)[O-])C2=O
chemicalCompound:molecularF...	C20 H15 N3 O6
chemicalCompound:moleculeId	124180
chemicalCompound:mwFreebase	393.35
chemicalCompound:alogp	1.64
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	125.55
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.148
chemicalCompound:acdLogP	0.365
chemicalCompound:acdLogD	0.365
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	393.35
chemicalCompound:acdMostBpk...	0.947
chemicalCompound:chemblId	CHEMBL306181
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:224180
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:1293762, activity:1293763, activity:1293764, activity:1293765, activity:1293766