General Information of the Compound
| Compound ID |
CP0390751
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| Compound Name |
(R)-quinuclidin-3-yl 3-fluorophenyl(3,4,5-trifluorobenzyl)carbamate
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| Synonyms |
Muscarinic M3 receptor antagonist (overactive bladder), SALVAT
SVT-40776
Tarafenacin
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| Structure |
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| Formula |
C21H20F4N2O2
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| Molecular Weight |
408.395
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| Canonical SMILES |
Fc1cccc(c1)N(Cc1cc(F)c(F)c(F)c1)C(=O)O[C@H]1CN2CCC1CC2
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| InChI |
InChI=1S/C21H20F4N2O2/c22-15-2-1-3-16(10-15)27(11-13-8-17(23)20(25)18(24)9-13)21(28)29-19-12-26-6-4-14(19)5-7-26/h1-3,8-10,14,19H,4-7,11-12H2/t19-/m0/s1
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| InChIKey |
UXZDMXYRRQJIBJ-IBGZPJMESA-N
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| CAS |
385367-47-5
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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: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Clinical Information about the Compound