83724

Source:http://linkedlifedata.com/resource/chembl/compound/83724

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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:83724_Ceftriaxone_FDA_ALTERNATIVE_NAME, synonym:83724_Rocefin_TRADE_NAME, synonym:83724_Rocephin_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C18H18N8O7S3/c1-25-18(22-12(28)13(29)23-25)36-4-6-3-34-15-9(14(30)26(15)10(6)16(31)32)21-11(27)8(24-33-2)7-5-35-17(19)20-7/h5,9,15H,3-4H2,1-2H3,(H2,19,20)(H,21,27)(H,23,29)(H,31,32)/b24-8-/t9-,15-/m1/s1
chemicalCompound:standardIn...	VAAUVRVFOQPIGI-SPQHTLEESA-N
chemicalCompound:canonicalS...	CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)CSC3=NC(=O)C(=O)NN3C)\c4csc(N)n4
chemicalCompound:molecularF...	C18H18N8O7S3
chemicalCompound:moleculeId	83724
chemicalCompound:mwFreebase	554.58
chemicalCompound:alogp	-0.956
chemicalCompound:hba	14
chemicalCompound:hbd	4
chemicalCompound:psa	287.81
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.566
chemicalCompound:acdLogP	-0.684
chemicalCompound:acdLogD	-4.579
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	554.58
chemicalCompound:acdMostBpk...	1.699
chemicalCompound:chemblId	CHEMBL161
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:183724
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	CEFTRIAXONE
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:29007
chemicalCompound:firstAppro...	1984
chemicalCompound:activity	activity:179378, activity:179379, activity:179380, activity:179381, activity:179382, activity:179383, activity:179384, activity:179385, activity:179386, activity:179387, activity:179388, activity:179389, activity:179390, activity:179391, activity:179392, activity:179393, activity:179394, activity:179395, activity:179396, activity:179397, activity:179398, activity:259504, activity:259505, activity:545260, activity:545261, activity:611359, activity:611360, activity:611361, activity:611362, activity:611363, activity:611364, activity:611365, activity:611366, activity:730948, activity:730949, activity:730950, activity:730951, activity:730952, activity:730953, activity:730954, activity:730955, activity:730956, activity:730957, activity:730958, activity:730959, activity:730960, activity:730961, activity:814267, activity:814268, activity:1490312, activity:1712966, activity:1712967, activity:1713022, activity:1713023, activity:1713078, activity:1713079, activity:1713134, activity:1713135, activity:1713192, activity:1713193