466768

Source:http://linkedlifedata.com/resource/chembl/compound/466768

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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:466768_Rifacol_TRADE_NAME, synonym:466768_Rifaxidin_OTHER, synonym:466768_Rifaximin_FDA_ALTERNATIVE_NAME, synonym:466768_Rifaximin_INN, synonym:466768_Rifaximin_USAN, synonym:466768_Xifaxan_TRADE_NAME
chemicalCompound:standardIn...	InChI=1S/C43H51N3O11/c1-19-14-16-46-28(18-19)44-32-29-30-37(50)25(7)40-31(29)41(52)43(9,57-40)55-17-15-27(54-10)22(4)39(56-26(8)47)24(6)36(49)23(5)35(48)20(2)12-11-13-21(3)42(53)45-33(34(32)46)38(30)51/h11-18,20,22-24,27,35-36,39,48-51H,1-10H3,(H,45,53)/b12-11+,17-15+,21-13-/t20-,22+,23+,24+,27-,35-,36+,39+,43-/m0/s1
chemicalCompound:standardIn...	NZCRJKRKKOLAOJ-XRCRFVBUSA-N
chemicalCompound:canonicalS...	CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)\C(=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@@H]1C)\C)c5c(nc6cc(C)ccn56)c4c3C2=O
chemicalCompound:molecularF...	C43H51N3O11
chemicalCompound:moleculeId	466768
chemicalCompound:mwFreebase	785.879
chemicalCompound:alogp	4.805
chemicalCompound:hba	12
chemicalCompound:hbd	5
chemicalCompound:psa	198.37
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.064
chemicalCompound:acdLogP	3.353
chemicalCompound:acdLogD	0.333
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	785.879
chemicalCompound:acdMostBpk...	4.416
chemicalCompound:chemblId	CHEMBL1617
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:566768
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	Yes
chemicalCompound:proDrug	No
chemicalCompound:prefName	RIFAXIMIN
chemicalCompound:firstAppro...	1987
chemicalCompound:activity	activity:2497339, activity:2497340, activity:2497352, activity:2497363, activity:2497368, activity:2497377, activity:2572688, activity:2572689, activity:2572690, activity:2572691, activity:2572692, activity:2572693, activity:2572698, activity:2572703, activity:2572704, activity:2572705, activity:2572706, activity:2576488, activity:2576489, activity:3450544, activity:3450545, activity:3450546, activity:3450547, activity:3450548, activity:3450549, activity:3450550, activity:3450551, activity:3450552, activity:3450553, activity:3450554, activity:3450555, activity:3450556, activity:3450557, activity:3450558, activity:3450559, activity:3450560, activity:3450561, activity:3450562, activity:3450563, activity:3450564, activity:3450565, activity:3450566, activity:3450567, activity:3450568, activity:3450569, activity:3450570, activity:3450571, activity:3450572, activity:3493969, activity:3493970, activity:3493972, activity:3493973, activity:3493974, activity:3493975, activity:3493976, activity:3493977, activity:3493978, activity:3495583