General Information of the Compound
| Compound ID |
CP0535865
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| Compound Name |
(2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-(3-chloro-benzyl)-amine
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| Structure |
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| Formula |
C27H29ClN2
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| Molecular Weight |
416.996
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| Canonical SMILES |
Clc1cccc(CN[C@H]2C3CCN(CC3)[C@H]2C(c2ccccc2)c2ccccc2)c1
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| InChI |
InChI=1S/C27H29ClN2/c28-24-13-7-8-20(18-24)19-29-26-23-14-16-30(17-15-23)27(26)25(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-13,18,23,25-27,29H,14-17,19H2/t26-,27-/m0/s1
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| InChIKey |
OSCUVIRCTXFEQR-SVBPBHIXSA-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