995022

Source:http://linkedlifedata.com/resource/chembl/compound/995022

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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/C23H33N3O3/c1-5-7-19-9-10-22(23(15-27)28-19)29-25-17(3)11-13-26-12-6-8-20-21(26)14-16(2)18(4)24-20/h5,9-10,14,19,22-23,27H,1,6-8,11-13,15H2,2-4H3/b25-17+/t19-,22+,23+/m1/s1
chemicalCompound:standardIn...	ZNDLMMWGIFFBCM-FJTYRZEVSA-N
chemicalCompound:canonicalS...	C\C(=N/O[C@H]1C=C[C@@H](CC=C)O[C@H]1CO)\CCN2CCCc3nc(C)c(C)cc23
chemicalCompound:molecularF...	C23H33N3O3
chemicalCompound:moleculeId	995022
chemicalCompound:mwFreebase	399.526
chemicalCompound:alogp	2.725
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	67.18
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	2.747
chemicalCompound:acdLogD	2.272
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	399.526
chemicalCompound:acdMostBpk...	7.741
chemicalCompound:chemblId	CHEMBL1571138
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1095022
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:3687899, activity:4161385, activity:4484589, activity:4633855, activity:4860032, activity:4949285, activity:4981997, activity:5018164, activity:5988220, activity:5989333, activity:6026610, activity:6053497, activity:6064024