General Information of the Compound
| Compound ID |
CP0922759
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| Compound Name |
(1R,2S,3S,5S)-phenethyl 3-(3,4-dichlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
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| Structure |
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| Formula |
C23H25Cl2NO2
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| Molecular Weight |
418.364
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| Canonical SMILES |
CN1[C@H]2CC[C@@H]1[C@@H](C(=O)OCCc1ccccc1)[C@@H](c1ccc(Cl)c(Cl)c1)C2
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| InChI |
InChI=1S/C23H25Cl2NO2/c1-26-17-8-10-21(26)22(18(14-17)16-7-9-19(24)20(25)13-16)23(27)28-12-11-15-5-3-2-4-6-15/h2-7,9,13,17-18,21-22H,8,10-12,14H2,1H3/t17-,18+,21+,22-/m0/s1
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| InChIKey |
IYCQCLWRGXVAAB-KKXYHZGYSA-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