General Information of the Compound
Compound ID |
CP0373692
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Compound Name |
((6S,7S)-7-Benzhydryl-1-aza-bicyclo[3.2.2]non-6-yl)-(2-methoxy-benzyl)-amine
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Structure |
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Formula |
C29H34N2O
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Molecular Weight |
426.604
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Canonical SMILES |
COc1ccccc1CN[C@H]1C2CCN(CCC2)[C@H]1C(c1ccccc1)c1ccccc1
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InChI |
InChI=1S/C29H34N2O/c1-32-26-17-9-8-15-25(26)21-30-28-24-16-10-19-31(20-18-24)29(28)27(22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-9,11-15,17,24,27-30H,10,16,18-21H2,1H3/t24?,28-,29-/m0/s1
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InChIKey |
YQRDYMFXKSXYNJ-UTARDKEYSA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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