652464

Source:http://linkedlifedata.com/resource/chembl/compound/652464

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C21H35BrN/c1-4-7-8-9-11-18-23(5-2,6-3)19-12-10-13-20-14-16-21(22)17-15-20/h10,12,14-17H,4-9,11,13,18-19H2,1-3H3/q+1/b12-10-
chemicalCompound:standardIn...	ONFVZFLVMZSBPU-BENRWUELSA-N
chemicalCompound:canonicalS...	CCCCCCC[N+](CC)(CC)C\C=C/Cc1ccc(Br)cc1
chemicalCompound:molecularF...	C21H35BrN
chemicalCompound:moleculeId	652464
chemicalCompound:mwFreebase	381.413
chemicalCompound:alogp	5.616
chemicalCompound:hba	0
chemicalCompound:hbd	0
chemicalCompound:psa	0
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.24
chemicalCompound:acdLogD	1.24
chemicalCompound:fullMwt	381.413
chemicalCompound:chemblId	CHEMBL1178514
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:752464
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No