General Information of the Compound
| Compound ID |
CP0469892
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| Compound Name |
(S)-((S)-3-Benzhydryl-octahydro-2,5-methano-isoquinolin-4-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 |
COc1ccccc1CNC1C2C3CCCC2CN(C3)[C@H]1C(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C31H36N2O/c1-34-27-18-9-8-15-24(27)19-32-30-28-25-16-10-17-26(28)21-33(20-25)31(30)29(22-11-4-2-5-12-22)23-13-6-3-7-14-23/h2-9,11-15,18,25-26,28-32H,10,16-17,19-21H2,1H3/t25?,26?,28?,30?,31-/m0/s1
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| InChIKey |
VHGKPNMPOKTFMD-UYZGYWSASA-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