General Information of the Compound
| Compound ID |
CP0858007
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| Compound Name |
(2RS)-2-Amino-2-{[(2RS)-1-(4,4-diphenylbut-3-en-1-yl)]pyrrolidine-2-yl}aceticacid ditrifluoroaceticacid
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| Structure |
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| Formula |
C24H27F3N2O4
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| Molecular Weight |
464.484
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| Canonical SMILES |
N[C@@H](C(=O)O)[C@H]1CCCN1CCC=C(c1ccccc1)c1ccccc1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C22H26N2O2.C2HF3O2/c23-21(22(25)26)20-14-8-16-24(20)15-7-13-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18;3-2(4,5)1(6)7/h1-6,9-13,20-21H,7-8,14-16,23H2,(H,25,26);(H,6,7)/t20-,21-;/m1./s1
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| InChIKey |
CBZCVWNKLHGQPT-MUCZFFFMSA-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