171342

Source:http://linkedlifedata.com/resource/chembl/compound/171342

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/C32H44F2N4O8/c1-17(2)23(29(41)35-5)37-31(43)27(45-15-19-9-7-11-21(33)13-19)25(39)26(40)28(46-16-20-10-8-12-22(34)14-20)32(44)38-24(18(3)4)30(42)36-6/h7-14,17-18,23-28,39-40H,15-16H2,1-6H3,(H,35,41)(H,36,42)(H,37,43)(H,38,44)/t23-,24-,25+,26+,27+,28+/m0/s1
chemicalCompound:standardIn...	WQFIXFLIBHKDSR-BQXGFVACSA-N
chemicalCompound:canonicalS...	CNC(=O)[C@@H](NC(=O)[C@H](OCc1cccc(F)c1)[C@H](O)[C@@H](O)[C@@H](OCc2cccc(F)c2)C(=O)N[C@@H](C(C)C)C(=O)NC)C(C)C
chemicalCompound:molecularF...	C32 H44 F2 N4 O8
chemicalCompound:moleculeId	171342
chemicalCompound:mwFreebase	650.711
chemicalCompound:alogp	1.64
chemicalCompound:hba	8
chemicalCompound:hbd	6
chemicalCompound:psa	175.31
chemicalCompound:rtb	17
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.18
chemicalCompound:acdLogP	6.439
chemicalCompound:acdLogD	6.438
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	650.711
chemicalCompound:chemblId	CHEMBL102228
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:271342
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:667240, activity:667241, activity:667242, activity:667243, activity:667244, activity:667245