General Information of the Compound
| Compound ID |
CP0560095
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| Compound Name |
tert-butyl (2R,3S,4R)-4-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
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| Structure |
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| Formula |
C26H28F7NO4
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| Molecular Weight |
551.499
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| Canonical SMILES |
C[C@@H](O[C@H]1CN([C@@H](CO)[C@@H]1c1ccc(F)cc1)C(=O)OC(C)(C)C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C26H28F7NO4/c1-14(16-9-17(25(28,29)30)11-18(10-16)26(31,32)33)37-21-12-34(23(36)38-24(2,3)4)20(13-35)22(21)15-5-7-19(27)8-6-15/h5-11,14,20-22,35H,12-13H2,1-4H3/t14-,20+,21+,22+/m1/s1
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| InChIKey |
NTPXRAIABDEODW-BNQVVEKUSA-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