195008

Source:http://linkedlifedata.com/resource/chembl/compound/195008

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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/C29H28N2O3/c32-22-9-8-19-13-23-29(33)14-20-12-21(18-4-2-1-3-5-18)15-30-25(20)27-28(29,24(19)26(22)34-27)10-11-31(23)16-17-6-7-17/h1-5,8-9,12,15,17,23,27,32-33H,6-7,10-11,13-14,16H2/t23-,27?,28+,29-/m1/s1
chemicalCompound:standardIn...	HGXDYBCPHNQUIY-VKZBBXDISA-N
chemicalCompound:canonicalS...	Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]56C(Oc1c25)c7ncc(cc7C[C@@]36O)c8ccccc8
chemicalCompound:molecularF...	C29 H28 N2 O3
chemicalCompound:moleculeId	195008
chemicalCompound:mwFreebase	452.544
chemicalCompound:alogp	4.06
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	65.82
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.199
chemicalCompound:acdLogP	2.123
chemicalCompound:acdLogD	1.704
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	452.544
chemicalCompound:acdMostBpk...	7.432
chemicalCompound:chemblId	CHEMBL332184
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:295008
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:123376, activity:123377, activity:123378, activity:123379, activity:123380, activity:123381, activity:123382, activity:123383, activity:123384, activity:123385, activity:123386, activity:123387