2451

Source:http://linkedlifedata.com/resource/chembl/compound/2451

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:2451_Melagatran_INN
chemicalCompound:standardIn...	InChI=1S/C22H31N5O4/c23-20(24)16-8-6-14(7-9-16)12-26-21(30)17-10-11-27(17)22(31)19(25-13-18(28)29)15-4-2-1-3-5-15/h6-9,15,17,19,25H,1-5,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t17-,19+/m0/s1
chemicalCompound:standardIn...	DKWNMCUOEDMMIN-PKOBYXMFSA-N
chemicalCompound:canonicalS...	NC(=N)c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@H](NCC(=O)O)C3CCCCC3)cc1
chemicalCompound:molecularF...	C22H31N5O4
chemicalCompound:moleculeId	2451
chemicalCompound:mwFreebase	429.513
chemicalCompound:alogp	-2.133
chemicalCompound:hba	6
chemicalCompound:hbd	5
chemicalCompound:psa	148.6
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	2.121
chemicalCompound:acdLogP	2.418
chemicalCompound:acdLogD	-0.505
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	429.513
chemicalCompound:acdMostBpk...	11.618
chemicalCompound:chemblId	CHEMBL266349
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:102451
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	MELAGATRAN
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:43966
chemicalCompound:activity	activity:70187, activity:384483, activity:384484, activity:501774, activity:633403, activity:718205, activity:718206, activity:1232095, activity:1716622, activity:1716665, activity:1716692, activity:1716720, activity:1716726, activity:1716732, activity:1716738, activity:1717480, activity:1717502, activity:1717525, activity:1717549, activity:1717555, activity:2364211, activity:2526192, activity:2672064, activity:2672065, activity:2978422, activity:2978481, activity:2990562, activity:2990707, activity:2991853, activity:2991921, activity:2992014, activity:2994948, activity:2996337, activity:5079873, activity:5080828, activity:5081322, activity:5081480, activity:5081529