674491

Source:http://linkedlifedata.com/resource/chembl/compound/674491

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:89672
chemicalCompound:synonym	synonym:674491_Azatadine Maleate_USAN, synonym:674491_Azatadine_BAN, synonym:674491_Azatadine_INN, synonym:674491_SCH-10649_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C20H22N2.C4H4O4/c1-22-13-10-16(11-14-22)19-18-7-3-2-5-15(18)8-9-17-6-4-12-21-20(17)19;5-3(6)1-2-4(7)8/h2-7,12H,8-11,13-14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
chemicalCompound:standardIn...	KGCJWSUJYBJBBW-BTJKTKAUSA-N
chemicalCompound:canonicalS...	CN1CCC(=C2c3ccccc3CCc4cccnc24)CC1.OC(=O)\C=C/C(=O)O
chemicalCompound:molecularF...	C24H26N2O4
chemicalCompound:moleculeId	674491
chemicalCompound:mwFreebase	290.402
chemicalCompound:alogp	4.084
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	16.13
chemicalCompound:rtb	0
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.692
chemicalCompound:acdLogD	1.247
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	406.474
chemicalCompound:acdMostBpk...	8.736
chemicalCompound:chemblId	CHEMBL1200540
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:774491
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	AZATADINE MALEATE
chemicalCompound:activity	activity:5316196, activity:5316826, activity:7839447