451400

Source:http://linkedlifedata.com/resource/chembl/compound/451400

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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/C29H23N3O3/c33-20-12-13-23-22(16-20)25-24(32(23)15-7-14-30-19-10-5-2-6-11-19)17-21(18-8-3-1-4-9-18)26-27(25)29(35)31-28(26)34/h1-6,8-13,16-17,30,33H,7,14-15H2,(H,31,34,35)
chemicalCompound:standardIn...	IITXSCOJPQUGAM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Oc1ccc2c(c1)c3c4C(=O)NC(=O)c4c(cc3n2CCCNc5ccccc5)c6ccccc6
chemicalCompound:molecularF...	C29H23N3O3
chemicalCompound:moleculeId	451400
chemicalCompound:mwFreebase	461.511
chemicalCompound:alogp	5.151
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	83.36
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.056
chemicalCompound:acdLogP	5.967
chemicalCompound:acdLogD	5.948
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	461.511
chemicalCompound:acdMostBpk...	4.831
chemicalCompound:chemblId	CHEMBL452079
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:551400
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:2238783, activity:2238784, activity:2238785