252199

Source:http://linkedlifedata.com/resource/chembl/compound/252199

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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/C24H26ClF3N4O3S/c1-15-29-21-11-18(3-5-22(21)36-15)35-14-17(33)12-31-6-8-32(9-7-31)13-23(34)30-16-2-4-20(25)19(10-16)24(26,27)28/h2-5,10-11,17,33H,6-9,12-14H2,1H3,(H,30,34)/t17-/m1/s1
chemicalCompound:standardIn...	LFSFDIDSIQKNDC-QGZVFWFLSA-N
chemicalCompound:canonicalS...	Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)Nc4ccc(Cl)c(c4)C(F)(F)F)CC3)ccc2s1
chemicalCompound:molecularF...	C24 H26 Cl F3 N4 O3 S
chemicalCompound:moleculeId	252199
chemicalCompound:mwFreebase	543.001
chemicalCompound:alogp	3.986
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	106.17
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.189
chemicalCompound:acdLogP	4.181
chemicalCompound:acdLogD	4.153
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	543.001
chemicalCompound:acdMostBpk...	6.476
chemicalCompound:chemblId	CHEMBL357278
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:352199
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:31868, activity:31869