12504

Source:http://linkedlifedata.com/resource/chembl/compound/12504

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:12504_Cefotax_TRADE_NAME, synonym:12504_Cefotaxime_FDA_ALTERNATIVE_NAME, synonym:12504_Cefotaxime_INN, synonym:12504_Claforan_TRADE_NAME, synonym:12504_Kefotex_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C16H17N5O7S2/c1-6(22)28-3-7-4-29-14-10(13(24)21(14)11(7)15(25)26)19-12(23)9(20-27-2)8-5-30-16(17)18-8/h5,10,14H,3-4H2,1-2H3,(H2,17,18)(H,19,23)(H,25,26)/b20-9+/t10-,14-/m1/s1
chemicalCompound:standardIn...	GPRBEKHLDVQUJE-VINNURBNSA-N
chemicalCompound:canonicalS...	CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)COC(=O)C)/c3csc(N)n3
chemicalCompound:molecularF...	C16H17N5O7S2
chemicalCompound:moleculeId	12504
chemicalCompound:mwFreebase	455.465
chemicalCompound:alogp	-0.91
chemicalCompound:hba	11
chemicalCompound:hbd	3
chemicalCompound:psa	227.05
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.664
chemicalCompound:acdLogP	-0.506
chemicalCompound:acdLogD	-4.261
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	455.465
chemicalCompound:acdMostBpk...	1.699
chemicalCompound:chemblId	CHEMBL102
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:112504
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	Yes
chemicalCompound:proDrug	No
chemicalCompound:prefName	CEFOTAXIME
chemicalCompound:activity	activity:77347, activity:77348, activity:77349, activity:77350, activity:77351, activity:77352, activity:77353, activity:170425, activity:170426, activity:170427, activity:170428, activity:170429, activity:170430, activity:170431, activity:170432, activity:170433, activity:170434, activity:170435, activity:170436, activity:170437, activity:170438, activity:170439, activity:170440, activity:170441, activity:170442, activity:170443, activity:170444, activity:170445, activity:170446, activity:282044, activity:282045, activity:282046, activity:282047, activity:282048, activity:282049, activity:282050, activity:282051, activity:282052, activity:282053, activity:282054, activity:282055, activity:282056, activity:282057, activity:282058, activity:282059, activity:282060, activity:282061, activity:282062, activity:282063, activity:282064, activity:282065, activity:282066, activity:282067, activity:282068, activity:282069, activity:286141, activity:286142, activity:286143, activity:286144, activity:286145