857865

Source:http://linkedlifedata.com/resource/chembl/compound/857865

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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/C23H25N/c1-19(20-11-5-2-6-12-20)24-18-17-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-16,19,23-24H,17-18H2,1H3/t19-/m0/s1
chemicalCompound:standardIn...	NMKSAYKQLCHXDK-IBGZPJMESA-N
chemicalCompound:canonicalS...	C[C@H](NCCC(c1ccccc1)c2ccccc2)c3ccccc3
chemicalCompound:molecularF...	C23H25N
chemicalCompound:moleculeId	857865
chemicalCompound:mwFreebase	315.451
chemicalCompound:alogp	5.39
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	12.03
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.204
chemicalCompound:acdLogD	3.148
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	315.451
chemicalCompound:acdMostBpk...	9.493
chemicalCompound:chemblId	CHEMBL1433981
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:957865
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:3621545, activity:4020260, activity:4961644, activity:4977372, activity:5042570, activity:5851867, activity:6001493, activity:6031778, activity:6035101, activity:6038549, activity:6067286, activity:7508976