199633

Source:http://linkedlifedata.com/resource/chembl/compound/199633

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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/C36H45N3O7/c1-22-16-23(2)34(24(3)33(22)37)44-21-32(41)38-27(17-25-10-6-4-7-11-25)19-30(40)29(18-26-12-8-5-9-13-26)39-36(42)46-31-20-45-35-28(31)14-15-43-35/h4-13,16,27-31,35,40H,14-15,17-21,37H2,1-3H3,(H,38,41)(H,39,42)/t27-,28?,29-,30-,31-,35?/m0/s1
chemicalCompound:standardIn...	OGLVKFHEABFDBP-KFZRHFQASA-N
chemicalCompound:canonicalS...	Cc1cc(C)c(OCC(=O)N[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]3COC4OCCC34)Cc5ccccc5)c(C)c1N
chemicalCompound:molecularF...	C36 H45 N3 O7
chemicalCompound:moleculeId	199633
chemicalCompound:mwFreebase	631.758
chemicalCompound:alogp	4.82
chemicalCompound:hba	8
chemicalCompound:hbd	4
chemicalCompound:psa	141.37
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.533
chemicalCompound:acdLogP	3.696
chemicalCompound:acdLogD	3.696
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	631.758
chemicalCompound:acdMostBpk...	4.174
chemicalCompound:chemblId	CHEMBL122945
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:299633
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:87315, activity:87316, activity:87317