135994

Source:http://linkedlifedata.com/resource/chembl/compound/135994

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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/C19H21NO3/c1-10(21)12-4-3-11-9-14-13-5-6-15(22)18-19(13,7-8-20(14)2)16(11)17(12)23-18/h3-6,13-15,18,22H,7-9H2,1-2H3/t13-,14+,15-,18-,19-/m0/s1
chemicalCompound:standardIn...	GIHASMBCZZCZMC-HZMZCJTDSA-N
chemicalCompound:canonicalS...	CN1CC[C@]23[C@H]4Oc5c(ccc(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35)C(=O)C
chemicalCompound:molecularF...	C19 H21 N O3
chemicalCompound:moleculeId	135994
chemicalCompound:mwFreebase	311.375
chemicalCompound:alogp	1.394
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	49.77
chemicalCompound:rtb	1
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.371
chemicalCompound:acdLogP	1.058
chemicalCompound:acdLogD	0.143
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	311.375
chemicalCompound:acdMostBpk...	8.215
chemicalCompound:chemblId	CHEMBL82576
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:235994
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:427877, activity:427878, activity:427879