General Information of the Compound
| Compound ID |
CP0383317
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| Compound Name |
CB-01-11
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| Synonyms |
CB-01-11
Rifamycin
Rifamycin (oral controlled-release, gastrointestinal-specific)
Rifamycin (oral controlled-release, gastrointestinal-specific), Cosmo/Dr Falk/Santarus
Rifamycin SV
Rifamycin SV MMX
Rifamycin sodium
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| Structure |
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| Formula |
C37H47NO12
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| Molecular Weight |
697.778
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| Canonical SMILES |
CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)cc(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)c(O)c2c(O)c3C
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| InChI |
InChI=1S/C37H47NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,40-44H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1
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| InChIKey |
HJYYPODYNSCCOU-ODRIEIDWSA-N
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| CAS |
6998-60-3
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT04542, Bile salt export pump
Protein ID: PT06651, Bile salt export pump
Protein ID: PT03566, Solute carrier organic anion transporter family member 1B1
Clinical Information about the Compound