674756

Source:http://linkedlifedata.com/resource/chembl/compound/674756

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:parent	chemicalCompound:1278
chemicalCompound:synonym	synonym:674756_Diltiazem Malate_USAN, synonym:674756_MK-793_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C22H26N2O4S.C4H6O5/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3;5-2(4(8)9)1-3(6)7/h5-12,20-21H,13-14H2,1-4H3;2,5H,1H2,(H,6,7)(H,8,9)/t20-,21+;/m1./s1
chemicalCompound:standardIn...	IUSFTUWHKCSCDY-BHDTVMLSSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C.OC(CC(=O)O)C(=O)O
chemicalCompound:molecularF...	C26H32N2O9S
chemicalCompound:moleculeId	674756
chemicalCompound:mwFreebase	414.518
chemicalCompound:alogp	3.093
chemicalCompound:hba	6
chemicalCompound:hbd	0
chemicalCompound:psa	84.38
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.727
chemicalCompound:acdLogD	3.356
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	548.605
chemicalCompound:acdMostBpk...	8.937
chemicalCompound:chemblId	CHEMBL1200805
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:774756
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	DILTIAZEM MALATE
chemicalCompound:firstAppro...	1996