General Information of the Compound
| Compound ID |
CP0429753
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| Compound Name |
4-(trifluoromethyl)benzyl 1-acetyl-2-benzylpyrrolidine-2-carboxylate
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| Structure |
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| Formula |
C22H22F3NO3
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| Molecular Weight |
405.416
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| Canonical SMILES |
CC(=O)N1CCCC1(Cc1ccccc1)C(=O)OCc1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C22H22F3NO3/c1-16(27)26-13-5-12-21(26,14-17-6-3-2-4-7-17)20(28)29-15-18-8-10-19(11-9-18)22(23,24)25/h2-4,6-11H,5,12-15H2,1H3
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| InChIKey |
NEWZJVWWKZRZLK-UHFFFAOYSA-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