485100

Source:http://linkedlifedata.com/resource/chembl/compound/485100

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:88797
chemicalCompound:synonym	synonym:485100_Gleevec_OTHER, synonym:485100_Gleevec_TRADE_NAME, synonym:485100_Imatinib mesylate_BAN, synonym:485100_Imatinib mesylate_FDA_ALTERNATIVE_NAME, synonym:485100_Imatinib mesylate_INN, synonym:485100_Imatinib mesylate_USAN
chemicalCompound:standardIn...	InChI=1S/C29H31N7O.CH4O3S/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36;1-5(2,3)4/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34);1H3,(H,2,3,4)
chemicalCompound:standardIn...	YLMAHDNUQAMNNX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CN1CCN(Cc2ccc(cc2)C(=O)Nc3ccc(C)c(Nc4nccc(n4)c5cccnc5)c3)CC1.CS(=O)(=O)O
chemicalCompound:molecularF...	C30H35N7O4S
chemicalCompound:moleculeId	485100
chemicalCompound:mwFreebase	493.603
chemicalCompound:alogp	3.583
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	86.28
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.279
chemicalCompound:acdLogP	2.887
chemicalCompound:acdLogD	2.486
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	589.708
chemicalCompound:acdMostBpk...	7.553
chemicalCompound:chemblId	CHEMBL1642
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:585100
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	IMATINIB MESYLATE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:31690
chemicalCompound:firstAppro...	2001
chemicalCompound:activity	activity:1735312, activity:1735313, activity:2197969, activity:2197976, activity:2197984, activity:2357355, activity:2615475, activity:3322984, activity:3322985, activity:3322986, activity:3322987, activity:3322988, activity:3322989, activity:3322990, activity:3322991, activity:3322992, activity:3322993, activity:3322994, activity:3322995, activity:3322996, activity:3322997, activity:3322998, activity:3322999, activity:3323000, activity:3323001, activity:3323002, activity:3323003, activity:3323004, activity:3323005, activity:3323006, activity:3323007, activity:3323008, activity:3323009, activity:3323010, activity:3323011, activity:3323012, activity:3323013, activity:3323014, activity:3323015, activity:3323016, activity:3323017, activity:3323018, activity:3323019, activity:3323020, activity:3323021, activity:3323022, activity:3323023, activity:3323024, activity:3323025, activity:3323026, activity:3323027, activity:3323028, activity:3323029, activity:3323030, activity:3323031, activity:3323032