26401

Source:http://linkedlifedata.com/resource/chembl/compound/26401

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:26401_Desyrel_OTHER, synonym:26401_Trazodone_BAN, synonym:26401_Trazodone_FDA_ALTERNATIVE_NAME, synonym:26401_Trazodone_INN, synonym:26401_Trazodone_USAN, synonym:26401_Trialodine_OTHER, synonym:26401_trazadone_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C19H22ClN5O/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25/h1-3,5-7,9,15H,4,8,10-14H2
chemicalCompound:standardIn...	PHLBKPHSAVXXEF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1cccc(c1)N2CCN(CCCN3N=C4C=CC=CN4C3=O)CC2
chemicalCompound:molecularF...	C19H22ClN5O
chemicalCompound:moleculeId	26401
chemicalCompound:mwFreebase	371.864
chemicalCompound:alogp	2.418
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	42.39
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	2.756
chemicalCompound:acdLogD	2.582
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	371.864
chemicalCompound:acdMostBpk...	7.517
chemicalCompound:chemblId	CHEMBL621
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:126401
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	Yes
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	TRAZODONE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:9654
chemicalCompound:activity	activity:114773, activity:114774, activity:114775, activity:114776, activity:114777, activity:114778, activity:118100, activity:377985, activity:377986, activity:473257, activity:473258, activity:473259, activity:789367, activity:789368, activity:789369, activity:789370, activity:789371, activity:789372, activity:789373, activity:789374, activity:789375, activity:828331, activity:830724, activity:848115, activity:869849, activity:869850, activity:869851, activity:869852, activity:1101576, activity:1921186, activity:1921210, activity:2606940, activity:2607024, activity:2607060, activity:2978386, activity:2978387, activity:2990429, activity:2993197, activity:2993496, activity:2994673, activity:2994974, activity:2996512, activity:3218633, activity:3468683, activity:3628269, activity:3686802, activity:3688882, activity:3705245, activity:4130704, activity:4148659, activity:4518981, activity:4546884, activity:4803560, activity:4815958, activity:4881316, activity:4969940, activity:5080378, activity:5081210