General Information of the Compound
| Compound ID |
CP0397660
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| Compound Name |
(2R,4R)-2-(4-benzhydrylidenepiperidin-1-yl)-4-hydroxy-N-[(4-methylphenyl)methyl]pentanamide
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| Structure |
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| Formula |
C31H36N2O2
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| Molecular Weight |
468.641
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| Canonical SMILES |
C[C@@H](O)C[C@@H](N1CCC(CC1)=C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(C)cc1
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| InChI |
InChI=1S/C31H36N2O2/c1-23-13-15-25(16-14-23)22-32-31(35)29(21-24(2)34)33-19-17-28(18-20-33)30(26-9-5-3-6-10-26)27-11-7-4-8-12-27/h3-16,24,29,34H,17-22H2,1-2H3,(H,32,35)/t24-,29-/m1/s1
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| InChIKey |
VTCRXKGSWHHHRX-FUFSCUOVSA-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: PT03705, Sodium- and chloride-dependent GABA transporter 2
Protein ID: PT03076, Sodium- and chloride-dependent GABA transporter 3