General Information of the Compound
| Compound ID |
CP0470596
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| Compound Name |
1-[(4aS,8S,8aR)-4-[2-(2-fluoroethoxy)acetyl]-8-pyrrolidin-1-yl-2,3,4a,5,6,7,8,8a-octahydroquinoxalin-1-yl]-2-(3,4-dichlorophenyl)ethanone
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| Structure |
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| Formula |
C24H32Cl2FN3O3
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| Molecular Weight |
500.442
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| Canonical SMILES |
FCCOCC(=O)N1CCN([C@@H]2[C@H](CCC[C@H]12)N1CCCC1)C(=O)Cc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C24H32Cl2FN3O3/c25-18-7-6-17(14-19(18)26)15-22(31)30-12-11-29(23(32)16-33-13-8-27)21-5-3-4-20(24(21)30)28-9-1-2-10-28/h6-7,14,20-21,24H,1-5,8-13,15-16H2/t20-,21-,24+/m0/s1
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| InChIKey |
GWEPFMIMGIROJU-AWRGLXIESA-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