General Information of the Compound
| Compound ID |
CP0514579
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| Compound Name |
2-((2S,4R)-1-(4,4-diphenylbut-3-enyl)-4-hydroxypyrrolidin-2-yl)acetic acid
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| Structure |
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| Formula |
C22H25NO3
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| Molecular Weight |
351.446
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| Canonical SMILES |
O[C@@H]1C[C@@H](CC(O)=O)N(CCC=C(c2ccccc2)c2ccccc2)C1
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| InChI |
InChI=1S/C22H25NO3/c24-20-14-19(15-22(25)26)23(16-20)13-7-12-21(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-12,19-20,24H,7,13-16H2,(H,25,26)/t19-,20+/m0/s1
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| InChIKey |
XFXHMSATEXGCHY-VQTJNVASSA-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