General Information of the Compound
| Compound ID |
CP0859334
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| Compound Name |
(1R,2S,3S,5S)-((S)-1-fluoropropan-2-yl)3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
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| Structure |
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| Formula |
C18H23ClFNO2
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| Molecular Weight |
339.838
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| Canonical SMILES |
C[C@@H](CF)OC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2C
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| InChI |
InChI=1S/C18H23ClFNO2/c1-11(10-20)23-18(22)17-15(12-3-5-13(19)6-4-12)9-14-7-8-16(17)21(14)2/h3-6,11,14-17H,7-10H2,1-2H3/t11-,14-,15+,16+,17-/m0/s1
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| InChIKey |
ISWUXQKIYIOEJI-VGVPKUIYSA-N
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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