612113

Source:http://linkedlifedata.com/resource/chembl/compound/612113

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:612113_Amperozide_OTHER
chemicalCompound:standardIn...	InChI=1S/C23H29F2N3O/c1-2-26-23(29)28-16-14-27(15-17-28)13-3-4-22(18-5-9-20(24)10-6-18)19-7-11-21(25)12-8-19/h5-12,22H,2-4,13-17H2,1H3,(H,26,29)
chemicalCompound:standardIn...	NNAIYOXJNVGUOM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCNC(=O)N1CCN(CCCC(c2ccc(F)cc2)c3ccc(F)cc3)CC1
chemicalCompound:molecularF...	C23H29F2N3O
chemicalCompound:moleculeId	612113
chemicalCompound:mwFreebase	401.493
chemicalCompound:alogp	4.393
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	35.58
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.552
chemicalCompound:acdLogD	4.307
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	401.493
chemicalCompound:acdMostBpk...	7.428
chemicalCompound:chemblId	CHEMBL1079935
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:712113
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	AMPEROZIDE
chemicalCompound:activity	activity:3218593, activity:3218598, activity:3218599, activity:3218600, activity:3805656, activity:3833044, activity:3910842, activity:4521364, activity:4522073, activity:4532097, activity:4620301, activity:4799545, activity:4853758, activity:4961734, activity:4977536, activity:5046529, activity:5217304, activity:5217310, activity:5507853, activity:5570208, activity:5778202, activity:5802481, activity:5854958, activity:5978804, activity:5987720, activity:5997631, activity:6004676, activity:6016811, activity:6070800, activity:6457282, activity:7316297, activity:7436366, activity:7453672, activity:7498710, activity:7519977, activity:7523499