674324

Source:http://linkedlifedata.com/resource/chembl/compound/674324

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:parent	chemicalCompound:675209
chemicalCompound:synonym	synonym:674324_Alimta_TRADE_NAME, synonym:674324_LY-231514_RESEARCH_CODE, synonym:674324_Pemetrexed Disodium_USAN, synonym:674324_Pemetrexed_BAN, synonym:674324_Pemetrexed_INN
chemicalCompound:standardIn...	InChI=1S/C20H21N5O6.2Na/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27;;/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29);;/q;2*+1/p-2/t13-;;/m1../s1
chemicalCompound:standardIn...	NYDXNILOWQXUOF-FFXKMJQXSA-L
chemicalCompound:canonicalS...	[Na+].[Na+].NC1=Nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c2C(=O)N1
chemicalCompound:molecularF...	C20H19N5Na2O6
chemicalCompound:moleculeId	674324
chemicalCompound:mwFreebase	427.411
chemicalCompound:alogp	1.144
chemicalCompound:hba	8
chemicalCompound:hbd	6
chemicalCompound:psa	186.97
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.584
chemicalCompound:acdLogP	0.36
chemicalCompound:acdLogD	-4.322
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	471.374
chemicalCompound:acdMostBpk...	5.268
chemicalCompound:chemblId	CHEMBL1200373
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:774324
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	Yes
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	PEMETREXED DISODIUM
chemicalCompound:firstAppro...	2004