General Information of the Compound
| Compound ID |
CP0495213
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| Compound Name |
1-[(4-chloro-2-fluorophenyl)methyl]-N-methyl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-4-amine
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| Structure |
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| Formula |
C23H34ClFN2
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| Molecular Weight |
392.99
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| Canonical SMILES |
CN([C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C1CCN(Cc2ccc(Cl)cc2F)CC1
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| InChI |
InChI=1S/C23H34ClFN2/c1-22(2)17-7-10-23(22,3)21(13-17)26(4)19-8-11-27(12-9-19)15-16-5-6-18(24)14-20(16)25/h5-6,14,17,19,21H,7-13,15H2,1-4H3/t17-,21-,23+/m1/s1
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| InChIKey |
SOJREUGGTXHBCU-OAOOKAIFSA-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