200065

Source:http://linkedlifedata.com/resource/chembl/compound/200065

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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/C36H45N3O6/c1-24-11-10-12-25(2)34(24)39(3)22-33(41)37-28(19-26-13-6-4-7-14-26)21-31(40)30(20-27-15-8-5-9-16-27)38-36(42)45-32-23-44-35-29(32)17-18-43-35/h4-16,28-32,35,40H,17-23H2,1-3H3,(H,37,41)(H,38,42)/t28-,29?,30-,31-,32-,35?/m0/s1
chemicalCompound:standardIn...	FTXYCWMJEMWJLE-CKQKDGPYSA-N
chemicalCompound:canonicalS...	CN(CC(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]2COC3OCCC23)Cc4ccccc4)c5c(C)cccc5C
chemicalCompound:molecularF...	C36 H45 N3 O6
chemicalCompound:moleculeId	200065
chemicalCompound:mwFreebase	615.759
chemicalCompound:alogp	5.259
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	109.36
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.536
chemicalCompound:acdLogP	6.626
chemicalCompound:acdLogD	6.625
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	615.759
chemicalCompound:acdMostBpk...	4.526
chemicalCompound:chemblId	CHEMBL331624
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:300065
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:90231, activity:90232, activity:90233