General Information of the Compound
| Compound ID |
CP0075375
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| Compound Name |
CHEBI:45304
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| Synonyms |
3-(((4-Cyclopentyl-1-piperazinyl)imino)methyl)rifamycin
3-(4-Cyclopentyl-1-piperazinyl)iminomethylrifamycin SV
3-(N-(4-Cyclopentyl-1-piperazinyl)formimidoyl)rifamycin
61379-65-5
AN-15578
Antibiotic DL 473IT
Cyclopentylrifampicin
DL 473
DRG-0283
KTC 1
MDL 473
NCGC00167431-01
NCGC00167431-03
R 77-3
R-773
RIFAPENTINE
RPE
Rifamycin AF/ACPP
Rifapentin,(S)
Rifapentina
Rifapentine
Rifapentinum
ZINC169621228
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| Structure |
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| Formula |
C47H64N4O12
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| Molecular Weight |
877.045
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| Canonical SMILES |
CO[C@H]1\C=C\O[C@@]2(C)Oc3c(C2=O)c2c(O)c(\C=N\N4CCN(CC4)C4CCCC4)c(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/C47H64N4O12/c1-24-13-12-14-25(2)46(59)49-37-32(23-48-51-20-18-50(19-21-51)31-15-10-11-16-31)41(56)34-35(42(37)57)40(55)29(6)44-36(34)45(58)47(8,63-44)61-22-17-33(60-9)26(3)43(62-30(7)52)28(5)39(54)27(4)38(24)53/h12-14,17,22-24,26-28,31,33,38-39,43,53-57H,10-11,15-16,18-21H2,1-9H3,(H,49,59)/b13-12+,22-17+,25-14-,48-23+/t24-,26+,27+,28+,33-,38-,39+,43+,47-/m0/s1
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| InChIKey |
WDZCUPBHRAEYDL-GZAUEHORSA-N
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| CAS |
61379-65-5
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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: PT03217, ATP-binding cassette sub-family C member 2
Protein ID: PT03222, ATP-binding cassette sub-family C member 3
Protein ID: PT05334, ATP-binding cassette sub-family C member 4
Protein ID: PT04542, Bile salt export pump
Clinical Information about the Compound