21845

Source:http://linkedlifedata.com/resource/chembl/compound/21845

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:27341
chemicalCompound:synonym	synonym:21845_Novocainamid_TRADE_NAME, synonym:21845_Procainamide Hydrochloride_JAN, synonym:21845_Procainamide Hydrochloride_USAN, synonym:21845_Procainamide Hydrochloride_USP, synonym:21845_Procainamide hydrochloride_FDA_ALTERNATIVE_NAME, synonym:21845_Procainamide hydrochloride_TRADE_NAME, synonym:21845_Procainamide_BAN, synonym:21845_Procainamide_INN, synonym:21845_Procan sr_TRADE_NAME, synonym:21845_Procan_TRADE_NAME, synonym:21845_Procanbid_TRADE_NAME, synonym:21845_Procapan_TRADE_NAME, synonym:21845_Pronestyl-sr_TRADE_NAME, synonym:21845_Pronestyl_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C13H21N3O.ClH/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11;/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17);1H
chemicalCompound:standardIn...	ABTXGJFUQRCPNH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CCN(CC)CCNC(=O)c1ccc(N)cc1
chemicalCompound:molecularF...	C13H22ClN3O
chemicalCompound:moleculeId	21845
chemicalCompound:mwFreebase	235.325
chemicalCompound:alogp	1.127
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	58.36
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.317
chemicalCompound:acdLogD	-0.559
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	271.786
chemicalCompound:acdMostBpk...	9.094
chemicalCompound:chemblId	CHEMBL605
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:121845
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	Yes
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	Yes
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	PROCAINAMIDE HYDROCHLORIDE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:8429
chemicalCompound:activity	activity:717990, activity:717991, activity:717992, activity:717993, activity:717994, activity:717995, activity:717996, activity:717997, activity:717998, activity:717999, activity:718000, activity:718001, activity:718002, activity:718003, activity:718004, activity:718005, activity:718006, activity:718007, activity:718008, activity:718009, activity:718010, activity:718011, activity:718012, activity:718013, activity:808080, activity:808081, activity:808082, activity:808083, activity:977246, activity:977247, activity:3473305, activity:3641901, activity:4355266, activity:4358548, activity:4637523, activity:4749905, activity:4933845, activity:5029309, activity:5697107, activity:7002359, activity:7005080, activity:7509329, activity:7562833