General Information of the Compound
| Compound ID |
CP0384145
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| Compound Name |
((6S,7S)-7-Benzhydryl-1-aza-bicyclo[3.2.2]non-6-yl)-(2-chloro-benzyl)-amine
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| Structure |
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| Formula |
C28H31ClN2
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| Molecular Weight |
431.023
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| Canonical SMILES |
Clc1ccccc1CN[C@H]1C2CCN(CCC2)[C@H]1C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C28H31ClN2/c29-25-16-8-7-14-24(25)20-30-27-23-15-9-18-31(19-17-23)28(27)26(21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-8,10-14,16,23,26-28,30H,9,15,17-20H2/t23?,27-,28-/m0/s1
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| InChIKey |
BEXOTYMLUDAROH-HMCKCBAOSA-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