General Information of the Compound
| Compound ID |
CP0478234
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| Compound Name |
(S)-((S)-11-Benzhydryl-1-aza-tricyclo[5.4.0.0*3,9*]undec-10-yl)-(2-methoxy-benzyl)-amine
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| Structure |
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| Formula |
C31H36N2O
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| Molecular Weight |
452.642
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| Canonical SMILES |
COc1ccccc1CNC1C2CC3CCCC2CN3[C@H]1C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C31H36N2O/c1-34-28-18-9-8-15-24(28)20-32-30-27-19-26-17-10-16-25(27)21-33(26)31(30)29(22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-9,11-15,18,25-27,29-32H,10,16-17,19-21H2,1H3/t25?,26?,27?,30?,31-/m0/s1
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| InChIKey |
VSCHJGSJZVISLD-HMPIOLDBSA-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