General Information of the Compound
| Compound ID |
CP0504108
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| Compound Name |
(2-Chloro-benzyl)-[(2S,3S)-2-(3-chloro-phenyl)-1-aza-bicyclo[2.2.2]oct-3-yl]-amine
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| Structure |
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| Formula |
C20H22Cl2N2
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| Molecular Weight |
361.316
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| Canonical SMILES |
Clc1cccc(c1)[C@H]1[C@@H](NCc2ccccc2Cl)C2CCN1CC2
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| InChI |
InChI=1S/C20H22Cl2N2/c21-17-6-3-5-15(12-17)20-19(14-8-10-24(20)11-9-14)23-13-16-4-1-2-7-18(16)22/h1-7,12,14,19-20,23H,8-11,13H2/t19-,20-/m0/s1
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| InChIKey |
UIAXBDBJUGFIIR-PMACEKPBSA-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