General Information of the Compound
| Compound ID |
CP0207181
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| Compound Name |
(3'R,4'R)-1'-(4-Fluoro-benzyl)-4-phenyl-[1,3']bipiperidinyl-4'-ol
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| Structure |
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| Formula |
C23H29FN2O
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| Molecular Weight |
368.496
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| Canonical SMILES |
O[C@@H]1CCN(Cc2ccc(F)cc2)C[C@H]1N1CCC(CC1)c1ccccc1
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| InChI |
InChI=1S/C23H29FN2O/c24-21-8-6-18(7-9-21)16-25-13-12-23(27)22(17-25)26-14-10-20(11-15-26)19-4-2-1-3-5-19/h1-9,20,22-23,27H,10-17H2/t22-,23-/m1/s1
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| InChIKey |
HPZHSYBCGLDRCT-DHIUTWEWSA-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
Protein ID: PT02273, Vesicular acetylcholine transporter