General Information of the Compound
| Compound ID |
CP0427519
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| Compound Name |
(3R,5S)-5-[[(2E)-2-[[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]methylidene]hydrazinyl]methyl]piperidine-3-carboxylic acid
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| Structure |
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| Formula |
C20H19F6N3O3
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| Molecular Weight |
463.378
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| Canonical SMILES |
OC(=O)[C@H]1CNC[C@@H](CN\N=C\c2ccc(o2)-c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1
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| InChI |
InChI=1S/C20H19F6N3O3/c21-19(22,23)14-4-12(5-15(6-14)20(24,25)26)17-2-1-16(32-17)10-29-28-8-11-3-13(18(30)31)9-27-7-11/h1-2,4-6,10-11,13,27-28H,3,7-9H2,(H,30,31)/b29-10+/t11-,13+/m0/s1
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| InChIKey |
ZNIIBSXZJZZIGX-BQSCGJQXSA-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: PT02528, Sodium- and chloride-dependent GABA transporter 1
Protein ID: PT03285, Sodium- and chloride-dependent GABA transporter 1