443184

Source:http://linkedlifedata.com/resource/chembl/compound/443184

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:601
chemicalCompound:standardIn...	InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1/i3T3
chemicalCompound:standardIn...	VAYOSLLFUXYJDT-QZGBZKRISA-N
chemicalCompound:canonicalS...	[3H]C([3H])([3H])N1C[C@@H](C=C2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)N(CC)CC
chemicalCompound:molecularF...	C20H22N3OT3
chemicalCompound:moleculeId	443184
chemicalCompound:mwFreebase	323.432
chemicalCompound:alogp	2.604
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	39.34
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.712
chemicalCompound:acdLogD	2.373
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	329.408
chemicalCompound:acdMostBpk...	7.413
chemicalCompound:chemblId	CHEMBL463207
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:543184
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:2536484, activity:2536485, activity:2536487, activity:2536488, activity:5083854