792428

Source:http://linkedlifedata.com/resource/chembl/compound/792428

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1039928
chemicalCompound:standardIn...	InChI=1S/C21H18FNO.ClH/c22-18-11-13-19(14-12-18)23-20(16-7-3-1-4-8-16)15-21(24)17-9-5-2-6-10-17;/h1-14,20,23H,15H2;1H
chemicalCompound:standardIn...	ZMOVNLDLGGWFMT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.Fc1ccc(NC(CC(=O)c2ccccc2)c3ccccc3)cc1
chemicalCompound:molecularF...	C21H19ClFNO
chemicalCompound:moleculeId	792428
chemicalCompound:mwFreebase	319.372
chemicalCompound:alogp	4.96
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	29.1
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.977
chemicalCompound:acdLogD	2.977
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	355.833
chemicalCompound:acdMostBpk...	3.26
chemicalCompound:chemblId	CHEMBL1368544
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:892428
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:3621754, activity:3739067, activity:3942966, activity:4070171, activity:4540809, activity:4912705, activity:5556574, activity:5588230, activity:5890471, activity:6593317, activity:6750834, activity:7384824