General Information of the Compound
| Compound ID |
CP0415422
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| Compound Name |
(6R,7S,7aR)-1-amino-6-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-7-(4-fluorophenyl)-1-methyltetrahydro-1H-pyrrolizin-3(2H)-one
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| Structure |
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| Formula |
C24H23F7N2O2
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| Molecular Weight |
504.446
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| Canonical SMILES |
C[C@@H](O[C@H]1CN2[C@H]([C@@H]1c1ccc(F)cc1)C(C)(N)CC2=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C24H23F7N2O2/c1-12(14-7-15(23(26,27)28)9-16(8-14)24(29,30)31)35-18-11-33-19(34)10-22(2,32)21(33)20(18)13-3-5-17(25)6-4-13/h3-9,12,18,20-21H,10-11,32H2,1-2H3/t12-,18+,20-,21-,22?/m1/s1
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| InChIKey |
LDJVNPSEBQAQHU-XSLRDRNGSA-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