General Information of the Compound
| Compound ID |
CP0492118
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| Compound Name |
N-[(6R,7R)-6-(4-benzylpiperidin-1-yl)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-4-fluorobenzamide
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| Structure |
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| Formula |
C29H31FN2O2
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| Molecular Weight |
458.577
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| Canonical SMILES |
O[C@@H]1Cc2c(C[C@H]1N1CCC(Cc3ccccc3)CC1)cccc2NC(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C29H31FN2O2/c30-24-11-9-22(10-12-24)29(34)31-26-8-4-7-23-18-27(28(33)19-25(23)26)32-15-13-21(14-16-32)17-20-5-2-1-3-6-20/h1-12,21,27-28,33H,13-19H2,(H,31,34)/t27-,28-/m1/s1
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| InChIKey |
NDYPNRVSCWMFGK-VSGBNLITSA-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