General Information of the Compound
| Compound ID |
CP0404033
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| Compound Name |
(2R,4R)-2-(4-benzhydrylidenepiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-4-hydroxypentanamide
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| Structure |
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| Formula |
C30H33FN2O2
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| Molecular Weight |
472.604
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| Canonical SMILES |
C[C@@H](O)C[C@@H](N1CCC(CC1)=C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(F)cc1
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| InChI |
InChI=1S/C30H33FN2O2/c1-22(34)20-28(30(35)32-21-23-12-14-27(31)15-13-23)33-18-16-26(17-19-33)29(24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-15,22,28,34H,16-21H2,1H3,(H,32,35)/t22-,28-/m1/s1
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| InChIKey |
YILCVYZMGWZDMI-SKCUWOTOSA-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: PT03285, Sodium- and chloride-dependent GABA transporter 1
Protein ID: PT03705, Sodium- and chloride-dependent GABA transporter 2
Protein ID: PT03076, Sodium- and chloride-dependent GABA transporter 3