692370

Source:http://linkedlifedata.com/resource/chembl/compound/692370

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/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)
chemicalCompound:standardIn...	YZDJQTHVDDOVHR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(Cl)cc23)c1F
chemicalCompound:molecularF...	C17H14ClF2N3O3S
chemicalCompound:moleculeId	692370
chemicalCompound:mwFreebase	413.826
chemicalCompound:alogp	3.435
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	100.3
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.202
chemicalCompound:acdLogP	2.75
chemicalCompound:acdLogD	1.631
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	413.826
chemicalCompound:acdMostBpk...	0.361
chemicalCompound:chemblId	CHEMBL1230020
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:792370
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:7576021, activity:7576022, activity:7576023, activity:7576024, activity:7576025, activity:7576026, activity:7576027, activity:7576028, activity:7576029, activity:7576030, activity:7576031, activity:7576032, activity:7576033, activity:7576034, activity:7576035, activity:7576036, activity:7576037, activity:7576038, activity:7576039, activity:7576040, activity:7576041, activity:7576042, activity:7576043, activity:7576044, activity:7576045, activity:7576046, activity:7576047, activity:7576048, activity:7576049, activity:7576050, activity:7576051, activity:7576052, activity:7576053, activity:7576054, activity:7576055, activity:7576056, activity:7576057, activity:7576058, activity:7576059, activity:7576060, activity:7576061, activity:7576062, activity:7576063, activity:7576064, activity:7576065, activity:7576066, activity:7576067, activity:7576068, activity:7576069, activity:7576070, activity:7576071, activity:7576072, activity:7576073, activity:7576074, activity:7576075, activity:7576076, activity:7576077, activity:7576078, activity:7576079, activity:7576080, activity:7576081, activity:7576082, activity:7576083, activity:7576084, activity:7576085, activity:7576086