373970

Source:http://linkedlifedata.com/resource/chembl/compound/373970

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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:373970_Tigecycline_INN, synonym:373970_Tigecycline_USAN, synonym:373970_Tygacil_TRADE_NAME, synonym:373970_WAY-GAR-936_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C29H39N5O8/c1-28(2,3)31-11-17(35)32-15-10-16(33(4)5)13-8-12-9-14-21(34(6)7)24(38)20(27(30)41)26(40)29(14,42)25(39)18(12)23(37)19(13)22(15)36/h10,12,14,21,31,36,38-39,42H,8-9,11H2,1-7H3,(H2,30,41)(H,32,35)/t12-,14-,21-,29-/m0/s1
chemicalCompound:standardIn...	FPZLLRFZJZRHSY-HJYUBDRYSA-N
chemicalCompound:canonicalS...	CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(cc(NC(=O)CNC(C)(C)C)c(O)c4C(=O)C3=C(O)[C@@]2(O)C(=O)C(=C1O)C(=O)N)N(C)C
chemicalCompound:molecularF...	C29H39N5O8
chemicalCompound:moleculeId	373970
chemicalCompound:mwFreebase	585.649
chemicalCompound:alogp	-0.381
chemicalCompound:hba	11
chemicalCompound:hbd	7
chemicalCompound:psa	205.76
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	3
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.5
chemicalCompound:acdLogP	2.675
chemicalCompound:acdLogD	-0.004
chemicalCompound:molecularS...	molecularSpecies:ZWITTERION
chemicalCompound:fullMwt	585.649
chemicalCompound:acdMostBpk...	11.053
chemicalCompound:chemblId	CHEMBL376140
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:473970
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	Yes
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	Yes
chemicalCompound:proDrug	No
chemicalCompound:prefName	TIGECYCLINE
chemicalCompound:firstAppro...	2005
chemicalCompound:activity	activity:1235968, activity:1235969, activity:1235970, activity:1235971, activity:1235972, activity:1235973, activity:1235974, activity:1235975, activity:1235976, activity:1235977, activity:1235978, activity:1666165, activity:1666166, activity:1666167, activity:1666168, activity:1666169, activity:1666170, activity:1666171, activity:1666172, activity:1666173, activity:1832415, activity:1832416, activity:1832431, activity:1832432, activity:1848134, activity:1848142, activity:1848150, activity:1848158, activity:1848166, activity:1848174, activity:1848182, activity:1848183, activity:1848191, activity:1848199, activity:1848207, activity:1866320, activity:1866322, activity:1866324, activity:1866325, activity:1866326, activity:1866327, activity:1866340, activity:1866354, activity:1866367, activity:1868412, activity:1868413, activity:1868430, activity:2123030, activity:2123031, activity:2123042, activity:2123043, activity:2123053, activity:2123054, activity:2123063, activity:2123064, activity:2123075, activity:2123076, activity:2123087, activity:2123088, activity:2123099