554194

Source:http://linkedlifedata.com/resource/chembl/compound/554194

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/C25H24Cl2N2O/c1-17-23(29-30-16-18-5-3-2-4-6-18)15-24(19-7-11-21(26)12-8-19)28-25(17)20-9-13-22(27)14-10-20/h2-14,17,24-25,28H,15-16H2,1H3/b29-23+
chemicalCompound:standardIn...	SKMMAHRIKRAUSX-BYNJWEBRSA-N
chemicalCompound:canonicalS...	CC1C(NC(C/C/1=N\OCc2ccccc2)c3ccc(Cl)cc3)c4ccc(Cl)cc4
chemicalCompound:molecularF...	C25H24Cl2N2O
chemicalCompound:moleculeId	554194
chemicalCompound:mwFreebase	439.377
chemicalCompound:alogp	6.254
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	33.62
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	7.146
chemicalCompound:acdLogD	7.103
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	439.377
chemicalCompound:acdMostBpk...	6.418
chemicalCompound:chemblId	CHEMBL537966
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:654194
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:2654801, activity:2654830, activity:2654859, activity:2654888, activity:2654917, activity:2654946, activity:2654975, activity:2655004, activity:2655033, activity:2655062