199935

Source:http://linkedlifedata.com/resource/chembl/compound/199935

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/C35H41FN2O7/c1-22-15-26(36)16-23(2)33(22)43-21-32(40)37-27(17-24-9-5-3-6-10-24)19-30(39)29(18-25-11-7-4-8-12-25)38-35(41)45-31-20-44-34-28(31)13-14-42-34/h3-12,15-16,27-31,34,39H,13-14,17-21H2,1-2H3,(H,37,40)(H,38,41)/t27-,28?,29-,30-,31-,34?/m0/s1
chemicalCompound:standardIn...	NMIKCQGEILAGOO-PMFOINFDSA-N
chemicalCompound:canonicalS...	Cc1cc(F)cc(C)c1OCC(=O)N[C@H](C[C@H](O)[C@H](Cc2ccccc2)NC(=O)O[C@H]3COC4OCCC34)Cc5ccccc5
chemicalCompound:molecularF...	C35 H41 F N2 O7
chemicalCompound:moleculeId	199935
chemicalCompound:mwFreebase	620.708
chemicalCompound:alogp	5.286
chemicalCompound:hba	7
chemicalCompound:hbd	3
chemicalCompound:psa	115.35
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.532
chemicalCompound:acdLogP	4.98
chemicalCompound:acdLogD	4.98
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	620.708
chemicalCompound:chemblId	CHEMBL333929
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:299935
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:84311, activity:84312, activity:84313