General Information of the Compound
| Compound ID |
CP0467836
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| Compound Name |
(3R,4S)-tert-butyl 3-((3,5-bis(trifluoromethyl)benzyl)carbamoyl)-4-phenylpyrrolidine-1-carboxylate
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| Structure |
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| Formula |
C25H26F6N2O3
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| Molecular Weight |
516.482
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| Canonical SMILES |
CC(C)(C)OC(=O)N1C[C@@H]([C@H](C1)c1ccccc1)C(=O)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C25H26F6N2O3/c1-23(2,3)36-22(35)33-13-19(16-7-5-4-6-8-16)20(14-33)21(34)32-12-15-9-17(24(26,27)28)11-18(10-15)25(29,30)31/h4-11,19-20H,12-14H2,1-3H3,(H,32,34)/t19-,20+/m1/s1
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| InChIKey |
NPDDZRLANBKRMU-UXHICEINSA-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