954192

Source:http://linkedlifedata.com/resource/chembl/compound/954192

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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/C32H40N2O6/c35-20-23-6-8-24(9-7-23)21-37-31-18-27(26-4-2-1-3-5-26)17-30(40-31)32(36)34-14-12-33(13-15-34)19-25-10-11-28-29(16-25)39-22-38-28/h6-11,16-17,26-27,31,35H,1-5,12-15,18-22H2/t27-,31+/m0/s1
chemicalCompound:standardIn...	PWLGCENYRZNTDP-JTSJOTPCSA-N
chemicalCompound:canonicalS...	OCc1ccc(CO[C@H]2C[C@H](C=C(O2)C(=O)N3CCN(Cc4ccc5OCOc5c4)CC3)C6CCCCC6)cc1
chemicalCompound:molecularF...	C32H40N2O6
chemicalCompound:moleculeId	954192
chemicalCompound:mwFreebase	548.67
chemicalCompound:alogp	4.466
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	80.69
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.613
chemicalCompound:acdLogD	4.6
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	548.67
chemicalCompound:acdMostBpk...	6.453
chemicalCompound:chemblId	CHEMBL1530308
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1054192
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:4106778, activity:4305990, activity:4331444, activity:4399844, activity:4434987, activity:4481068, activity:4563488, activity:4904851, activity:5356953, activity:5395357, activity:5423799, activity:5590237, activity:5790483, activity:6520084, activity:6875907, activity:7039955, activity:7136515, activity:7263554