General Information of the Compound
| Compound ID |
CP0406400
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| Compound Name |
(2R,4R)-2-(4-benzhydrylidenepiperidin-1-yl)-N-benzyl-4-hydroxypentanamide
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| Structure |
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| Formula |
C30H34N2O2
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| Molecular Weight |
454.614
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| Canonical SMILES |
C[C@@H](O)C[C@@H](N1CCC(CC1)=C(c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1
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| InChI |
InChI=1S/C30H34N2O2/c1-23(33)21-28(30(34)31-22-24-11-5-2-6-12-24)32-19-17-27(18-20-32)29(25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-16,23,28,33H,17-22H2,1H3,(H,31,34)/t23-,28-/m1/s1
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| InChIKey |
CFPONYZAVITLFJ-QDPGVEIFSA-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