General Information of the Compound
| Compound ID |
CP0427513
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| Compound Name |
(3R,5S)-5-[[(2E)-2-[(5-naphthalen-1-ylfuran-2-yl)methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C22H23N3O3
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| Molecular Weight |
377.444
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| Canonical SMILES |
OC(=O)[C@H]1CNC[C@@H](CN\N=C\c2ccc(o2)-c2cccc3ccccc23)C1
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| InChI |
InChI=1S/C22H23N3O3/c26-22(27)17-10-15(11-23-13-17)12-24-25-14-18-8-9-21(28-18)20-7-3-5-16-4-1-2-6-19(16)20/h1-9,14-15,17,23-24H,10-13H2,(H,26,27)/b25-14+/t15-,17+/m0/s1
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| InChIKey |
LJBVJKRYRCGTBC-NBWFOSRTSA-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: PT02528, Sodium- and chloride-dependent GABA transporter 1
Protein ID: PT03076, Sodium- and chloride-dependent GABA transporter 3