379200

Source:http://linkedlifedata.com/resource/chembl/compound/379200

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/C20H22ClF2N3O/c21-16-4-1-2-5-19(16)26-12-10-25(11-13-26)9-3-6-20(27)24-18-8-7-15(22)14-17(18)23/h1-2,4-5,7-8,14H,3,6,9-13H2,(H,24,27)
chemicalCompound:standardIn...	VQWIFGLMYKBQQJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Fc1ccc(NC(=O)CCCN2CCN(CC2)c3ccccc3Cl)c(F)c1
chemicalCompound:molecularF...	C20 H22 Cl F2 N3 O
chemicalCompound:moleculeId	379200
chemicalCompound:mwFreebase	393.858
chemicalCompound:alogp	4.23
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	35.58
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.871
chemicalCompound:acdLogP	3.085
chemicalCompound:acdLogD	2.96
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	393.858
chemicalCompound:acdMostBpk...	7.42
chemicalCompound:chemblId	CHEMBL226416
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:479200
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:1871979