193269

Source:http://linkedlifedata.com/resource/chembl/compound/193269

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C23H32N2O2/c1-24(19-8-5-9-19)16-20-7-2-3-13-25(20)23(27)15-17-11-12-21-18(14-17)6-4-10-22(21)26/h11-12,14,19-20H,2-10,13,15-16H2,1H3/t20-/m0/s1
chemicalCompound:standardIn...	WAGDYUJHDQNZLO-FQEVSTJZSA-N
chemicalCompound:canonicalS...	CN(C[C@@H]1CCCCN1C(=O)Cc2ccc3C(=O)CCCc3c2)C4CCC4
chemicalCompound:molecularF...	C23 H32 N2 O2
chemicalCompound:moleculeId	193269
chemicalCompound:mwFreebase	368.512
chemicalCompound:alogp	3.83
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	40.62
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.139
chemicalCompound:acdLogD	0.489
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	368.512
chemicalCompound:acdMostBpk...	9.056
chemicalCompound:chemblId	CHEMBL331716
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:293269
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:1129872, activity:1129873, activity:1129874, activity:1129875