General Information of the Compound
| Compound ID |
CP0439808
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| Compound Name |
(-)-(7R,9S)-7-{[4-(2-Methylphenyl)piperidin-1-yl]methyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol
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| Structure |
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| Formula |
C23H30N2O
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| Molecular Weight |
350.506
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| Canonical SMILES |
Cc1ccccc1C1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)CC1
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| InChI |
InChI=1S/C23H30N2O/c1-17-5-2-3-7-21(17)19-10-13-25(14-11-19)16-18-8-9-20-6-4-12-24-23(20)22(26)15-18/h2-7,12,18-19,22,26H,8-11,13-16H2,1H3/t18-,22+/m1/s1
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| InChIKey |
RWZHKEZRFILBTQ-GCJKJVERSA-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