996

Source:http://linkedlifedata.com/resource/chembl/compound/996

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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:996_Anafranil_OTHER, synonym:996_Anafranil_TRADE_NAME, synonym:996_Clomipramine_FDA_ALTERNATIVE_NAME, synonym:996_Clomipramine_INN
chemicalCompound:standardIn...	InChI=1S/C19H23ClN2/c1-21(2)12-5-13-22-18-7-4-3-6-15(18)8-9-16-10-11-17(20)14-19(16)22/h3-4,6-7,10-11,14H,5,8-9,12-13H2,1-2H3
chemicalCompound:standardIn...	GDLIGKIOYRNHDA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)CCCN1c2ccccc2CCc3ccc(Cl)cc13
chemicalCompound:molecularF...	C19H23ClN2
chemicalCompound:moleculeId	996
chemicalCompound:mwFreebase	314.852
chemicalCompound:alogp	5.052
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	6.48
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.94
chemicalCompound:acdLogD	2.952
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	314.852
chemicalCompound:acdMostBpk...	9.463
chemicalCompound:chemblId	CHEMBL415
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100996
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	CLOMIPRAMINE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:47780
chemicalCompound:firstAppro...	1989
chemicalCompound:activity	activity:137751, activity:137752, activity:137753, activity:137754, activity:139102, activity:139103, activity:139104, activity:368220, activity:368221, activity:413768, activity:413769, activity:413770, activity:413771, activity:413772, activity:413773, activity:416371, activity:435510, activity:435511, activity:435512, activity:435513, activity:435514, activity:438913, activity:438914, activity:438915, activity:446861, activity:446862, activity:446863, activity:671764, activity:671765, activity:671766, activity:716828, activity:716829, activity:716830, activity:716831, activity:716832, activity:777149, activity:777150, activity:777151, activity:777152, activity:777153, activity:777154, activity:777155, activity:777156, activity:777157, activity:777158, activity:777159, activity:777160, activity:777161, activity:777162, activity:777163, activity:848003, activity:848004, activity:848005, activity:848006, activity:848007, activity:848008, activity:848009, activity:848010, activity:895271, activity:895272