92677

Source:http://linkedlifedata.com/resource/chembl/compound/92677

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/C23H17F2N3O/c1-27-15-8-4-2-6-12(15)19-20-14(10-26-23(20)29)18-13-7-3-5-9-16(13)28(11-17(24)25)22(18)21(19)27/h2-9,17H,10-11H2,1H3,(H,26,29)
chemicalCompound:standardIn...	SEAHSSUYMJWMKY-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cn1c2ccccc2c3c4C(=O)NCc4c5c6ccccc6n(CC(F)F)c5c13
chemicalCompound:molecularF...	C23 H17 F2 N3 O
chemicalCompound:moleculeId	92677
chemicalCompound:mwFreebase	389.397
chemicalCompound:alogp	4.703
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	38.96
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.768
chemicalCompound:acdLogD	4.768
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	389.397
chemicalCompound:chemblId	CHEMBL303990
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:192677
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:209471, activity:209472, activity:209473, activity:209474, activity:209475