199890

Source:http://linkedlifedata.com/resource/chembl/compound/199890

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C37H45N3O8/c1-23-16-27(35(43)38-3)17-24(2)34(23)46-22-33(42)39-28(18-25-10-6-4-7-11-25)20-31(41)30(19-26-12-8-5-9-13-26)40-37(44)48-32-21-47-36-29(32)14-15-45-36/h4-13,16-17,28-32,36,41H,14-15,18-22H2,1-3H3,(H,38,43)(H,39,42)(H,40,44)/t28-,29?,30-,31-,32-,36?/m0/s1
chemicalCompound:standardIn...	WQDKKQBPJGPFNH-BIDJGREXSA-N
chemicalCompound:canonicalS...	CNC(=O)c1cc(C)c(OCC(=O)N[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]3COC4OCCC34)Cc5ccccc5)c(C)c1
chemicalCompound:molecularF...	C37 H45 N3 O8
chemicalCompound:moleculeId	199890
chemicalCompound:mwFreebase	659.768
chemicalCompound:alogp	4.289
chemicalCompound:hba	8
chemicalCompound:hbd	4
chemicalCompound:psa	144.44
chemicalCompound:rtb	15
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.532
chemicalCompound:acdLogP	3.314
chemicalCompound:acdLogD	3.314
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	659.768
chemicalCompound:chemblId	CHEMBL121648
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:299890
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:87321, activity:87322, activity:87323