46378

Source:http://linkedlifedata.com/resource/chembl/compound/46378

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/C13H15ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-7,16H,3-4H2,1-2H3,(H,15,17)
chemicalCompound:standardIn...	LUINDDOUWHRIPW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc2c(CCNC(=O)C)c[nH]c2cc1Cl
chemicalCompound:molecularF...	C13 H15 Cl N2 O2
chemicalCompound:moleculeId	46378
chemicalCompound:mwFreebase	266.723
chemicalCompound:alogp	2.22
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	54.12
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.784
chemicalCompound:acdLogD	1.784
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	266.723
chemicalCompound:chemblId	CHEMBL34730
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:146378
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:245236, activity:245237, activity:245238, activity:245239, activity:300066, activity:300067, activity:300068, activity:300069, activity:300070, activity:561379, activity:561380, activity:561381, activity:561382, activity:561383, activity:561384, activity:599891, activity:654054, activity:654055, activity:654056, activity:654057, activity:654058, activity:654059, activity:762657, activity:762658, activity:3472792, activity:3615041, activity:3625782, activity:3672025, activity:3777005, activity:3987947, activity:4018430, activity:4084656, activity:4131789, activity:4288120, activity:4519312, activity:4533555, activity:4585307, activity:4742024, activity:4807390, activity:4809460, activity:4853990, activity:4917776, activity:4966288, activity:4969551, activity:4978010, activity:5016911, activity:5029246, activity:5034851, activity:5069366, activity:5074167, activity:5616768, activity:5671397, activity:5720714, activity:5732499, activity:5775093, activity:6038035, activity:6051216, activity:6053153, activity:6056241, activity:6058440, activity:6457346, activity:7250167, activity:7527858