675679

Source:http://linkedlifedata.com/resource/chembl/compound/675679

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:parent	chemicalCompound:161281
chemicalCompound:synonym	synonym:675679_Desvenlafaxine Succinate_USAN, synonym:675679_Desvenlafaxine succinate_OTHER
chemicalCompound:standardIn...	InChI=1S/C16H25NO2.C4H6O4/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16;5-3(6)1-2-4(7)8/h6-9,15,18-19H,3-5,10-12H2,1-2H3;1-2H2,(H,5,6)(H,7,8)
chemicalCompound:standardIn...	ORUUBRMVQCKYHB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN(C)CC(c1ccc(O)cc1)C2(O)CCCCC2.OC(=O)CCC(=O)O
chemicalCompound:molecularF...	C20H31NO6
chemicalCompound:moleculeId	675679
chemicalCompound:mwFreebase	263.375
chemicalCompound:alogp	2.796
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	43.7
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.036
chemicalCompound:acdLogP	1.741
chemicalCompound:acdLogD	-0.001
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	381.463
chemicalCompound:acdMostBpk...	9.33
chemicalCompound:chemblId	CHEMBL1201728
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:775679
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	DESVENLAFAXINE SUCCINATE
chemicalCompound:firstAppro...	2008