206112

Source:http://linkedlifedata.com/resource/chembl/compound/206112

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/C34H32Cl2F2N2O6/c35-25-13-7-15-27(37)23(25)17-39-33(43)31(45-19-21-9-3-1-4-10-21)29(41)30(42)32(46-20-22-11-5-2-6-12-22)34(44)40-18-24-26(36)14-8-16-28(24)38/h1-16,29-32,41-42H,17-20H2,(H,39,43)(H,40,44)/t29-,30-,31-,32-/m1/s1
chemicalCompound:standardIn...	FWQXKMPOORDITM-SEVDZJIVSA-N
chemicalCompound:canonicalS...	O[C@H]([C@@H](O)[C@@H](OCc1ccccc1)C(=O)NCc2c(F)cccc2Cl)[C@@H](OCc3ccccc3)C(=O)NCc4c(F)cccc4Cl
chemicalCompound:molecularF...	C34 H32 Cl2 F2 N2 O6
chemicalCompound:moleculeId	206112
chemicalCompound:mwFreebase	673.53
chemicalCompound:alogp	5.362
chemicalCompound:hba	6
chemicalCompound:hbd	4
chemicalCompound:psa	117.12
chemicalCompound:rtb	15
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.545
chemicalCompound:acdLogP	8.475
chemicalCompound:acdLogD	8.475
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	673.53
chemicalCompound:chemblId	CHEMBL124877
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:306112
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:340368, activity:340369