General Information of the Compound
| Compound ID |
CP0296558
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| Compound Name |
[1-[(3S,4S)-1-[(4-fluorophenyl)methyl]-3-hydroxypiperidin-4-yl]piperidin-4-yl]-(4-methoxyphenyl)methanone
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| Structure |
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| Formula |
C25H31FN2O3
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| Molecular Weight |
426.532
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| Canonical SMILES |
COc1ccc(cc1)C(=O)C1CCN(CC1)[C@H]1CCN(Cc2ccc(F)cc2)C[C@@H]1O
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| InChI |
InChI=1S/C25H31FN2O3/c1-31-22-8-4-19(5-9-22)25(30)20-10-14-28(15-11-20)23-12-13-27(17-24(23)29)16-18-2-6-21(26)7-3-18/h2-9,20,23-24,29H,10-17H2,1H3/t23-,24-/m0/s1
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| InChIKey |
UIWSYEZPNUYTKA-ZEQRLZLVSA-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: PT01005, D(2) dopamine receptor
Protein ID: PT00943, D(3) dopamine receptor
Protein ID: PT02273, Vesicular acetylcholine transporter