744344

Source:http://linkedlifedata.com/resource/chembl/compound/744344

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C16H20ClNO3/c1-4-5-6-10-7-14(19)21-16-11(10)8-13(17)15(20)12(16)9-18(2)3/h7-8,20H,4-6,9H2,1-3H3
chemicalCompound:standardIn...	VHRDZSZXCHXPTP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCC1=CC(=O)Oc2c(CN(C)C)c(O)c(Cl)cc12
chemicalCompound:molecularF...	C16H20ClNO3
chemicalCompound:moleculeId	744344
chemicalCompound:mwFreebase	309.788
chemicalCompound:alogp	4.21
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	49.77
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	5.166
chemicalCompound:acdLogP	4.221
chemicalCompound:acdLogD	2.102
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	309.788
chemicalCompound:acdMostBpk...	8.302
chemicalCompound:chemblId	CHEMBL1320460
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:844344
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:3703972, activity:3983614, activity:4017721, activity:4130651, activity:4142523, activity:4327067, activity:4362090, activity:4401663, activity:4421321, activity:4461117, activity:4518928, activity:4548745, activity:4730887, activity:4807924, activity:4820868, activity:4976852, activity:5025746, activity:5030484, activity:5331386, activity:5366470, activity:5514251, activity:6469440, activity:6488527, activity:6721242, activity:6778865, activity:7560928