364036

Source:http://linkedlifedata.com/resource/chembl/compound/364036

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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/C23H23N3O4/c1-15(27)25-13-20-14-26(23(29)30-20)19-5-6-21-17(12-19)3-2-4-18(22(21)28)11-16-7-9-24-10-8-16/h5-12,20H,2-4,13-14H2,1H3,(H,25,27)/b18-11+/t20-/m0/s1
chemicalCompound:standardIn...	IOGUAHQJKHYYKF-OBXYEHHASA-N
chemicalCompound:canonicalS...	CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc3C(=O)\C(=C\c4ccncc4)\CCCc3c2
chemicalCompound:molecularF...	C23 H23 N3 O4
chemicalCompound:moleculeId	364036
chemicalCompound:mwFreebase	405.446
chemicalCompound:alogp	2.577
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	88.6
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	405.446
chemicalCompound:acdMostBpk...	4.405
chemicalCompound:chemblId	CHEMBL219545
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:464036
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:1793110, activity:1794066, activity:1794077, activity:1794093, activity:1794104, activity:1794115