100420

Source:http://linkedlifedata.com/resource/chembl/compound/100420

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/C20H31N3O2/c1-19-8-4-17(16-6-10-21-11-7-16)14-20(19,24)9-5-18(19)15-22-25-13-12-23(2)3/h6-7,10-11,15,17-18,24H,4-5,8-9,12-14H2,1-3H3/b22-15+/t17-,18+,19+,20-/m0/s1
chemicalCompound:standardIn...	ZTFAAOXQJBQKAW-BHBZXUJYSA-N
chemicalCompound:canonicalS...	CN(C)CCO\N=C\[C@H]1CC[C@]2(O)C[C@H](CC[C@]12C)c3ccncc3
chemicalCompound:molecularF...	C20 H31 N3 O2
chemicalCompound:moleculeId	100420
chemicalCompound:mwFreebase	345.479
chemicalCompound:alogp	2.035
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	57.95
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	2
chemicalCompound:acdLogD	0.261
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	345.479
chemicalCompound:acdMostBpk...	9.16
chemicalCompound:chemblId	CHEMBL65101
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:200420
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:158844