191902

Source:http://linkedlifedata.com/resource/chembl/compound/191902

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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:191902_Eptifibatide_BAN, synonym:191902_Eptifibatide_FDA_ALTERNATIVE_NAME, synonym:191902_Eptifibatide_INN, synonym:191902_Eptifibatide_USAN, synonym:191902_Integrilin_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C35H49N11O9S2/c36-30(51)25-18-57-56-13-10-27(47)42-22(8-3-4-11-39-35(37)38)31(52)41-17-28(48)43-23(15-29(49)50)32(53)44-24(14-19-16-40-21-7-2-1-6-20(19)21)34(55)46-12-5-9-26(46)33(54)45-25/h1-2,6-7,16,22-26,40H,3-5,8-15,17-18H2,(H2,36,51)(H,41,52)(H,42,47)(H,43,48)(H,44,53)(H,45,54)(H,49,50)(H4,37,38,39)/t22-,23-,24-,25-,26-/m0/s1
chemicalCompound:standardIn...	CZKPOZZJODAYPZ-LROMGURASA-N
chemicalCompound:canonicalS...	NC(=N)NCCCC[C@@H]1NC(=O)CCSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O)C(=O)N
chemicalCompound:molecularF...	C35 H49 N11 O9 S2
chemicalCompound:moleculeId	191902
chemicalCompound:mwFreebase	831.962
chemicalCompound:alogp	-1.928
chemicalCompound:hba	12
chemicalCompound:hbd	11
chemicalCompound:psa	374.48
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.007
chemicalCompound:acdLogP	-1.886
chemicalCompound:acdLogD	-4.385
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	831.962
chemicalCompound:acdMostBpk...	13.506
chemicalCompound:chemblId	CHEMBL1174
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:291902
chemicalCompound:moleculeTy...	moleculeType:Protein
chemicalCompound:oral	No
chemicalCompound:parenteral	Yes
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	EPTIFIBATIDE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:291902
chemicalCompound:firstAppro...	1998
chemicalCompound:activity	activity:921611, activity:921612, activity:5079748, activity:5080624, activity:5081061, activity:5081698, activity:5082205, activity:7840415, activity:7840416, activity:7840417, activity:7840418, activity:7840419, activity:7840420, activity:7840421, activity:7840422, activity:7840423, activity:7840424, activity:7840425, activity:7840426, activity:7840427, activity:7840428