796675

Source:http://linkedlifedata.com/resource/chembl/compound/796675

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:1041611
chemicalCompound:standardIn...	InChI=1S/C17H25NO3.ClH/c1-12-10-14(11-17(2,3)18(12)4)21-16(20)15(19)13-8-6-5-7-9-13;/h5-9,12,14-15,19H,10-11H2,1-4H3;1H
chemicalCompound:standardIn...	VWENUKHWZBZSLW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CC1CC(CC(C)(C)N1C)OC(=O)C(O)c2ccccc2
chemicalCompound:molecularF...	C17H26ClNO3
chemicalCompound:moleculeId	796675
chemicalCompound:mwFreebase	291.385
chemicalCompound:alogp	2.138
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	49.77
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.103
chemicalCompound:acdLogP	2.158
chemicalCompound:acdLogD	0.615
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	327.846
chemicalCompound:acdMostBpk...	8.95
chemicalCompound:chemblId	CHEMBL1372791
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:896675
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:3652687, activity:5426856, activity:6531609, activity:6634354