42014

Source:http://linkedlifedata.com/resource/chembl/compound/42014

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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/C32H38N2O5/c1-18(2)33-28(37)34-25(20-12-8-7-9-13-20)26(35)27(36)38-24-16-23-29(4,5)30(24,6)31-17-19(3)21-14-10-11-15-22(21)32(23,31)39-31/h7-15,18,23-26,35H,3,16-17H2,1-2,4-6H3,(H2,33,34,37)/t23?,24?,25-,26+,30?,31-,32+/m0/s1
chemicalCompound:standardIn...	VTOAPTMZTNSPKN-VHBTXTTHSA-N
chemicalCompound:canonicalS...	CC(C)NC(=O)N[C@H]([C@@H](O)C(=O)OC1CC2C(C)(C)C1(C)[C@@]34CC(=C)c5ccccc5[C@@]23O4)c6ccccc6
chemicalCompound:molecularF...	C32 H38 N2 O5
chemicalCompound:moleculeId	42014
chemicalCompound:mwFreebase	530.654
chemicalCompound:alogp	3.992
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	100.19
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.22
chemicalCompound:acdLogP	4.572
chemicalCompound:acdLogD	4.572
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	530.654
chemicalCompound:chemblId	CHEMBL32399
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:142014
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:451441