General Information of the Compound
| Compound ID |
CP0472159
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| Compound Name |
tert-butyl (2S,3S,4R)-3-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(hydroxymethyl)-4-phenylpyrrolidine-1-carboxylate
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| Structure |
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| Formula |
C26H29F6NO4
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| Molecular Weight |
533.509
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| Canonical SMILES |
C[C@@H](O[C@@H]1[C@H](CO)N(C[C@H]1c1ccccc1)C(=O)OC(C)(C)C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C26H29F6NO4/c1-15(17-10-18(25(27,28)29)12-19(11-17)26(30,31)32)36-22-20(16-8-6-5-7-9-16)13-33(21(22)14-34)23(35)37-24(2,3)4/h5-12,15,20-22,34H,13-14H2,1-4H3/t15-,20+,21+,22+/m1/s1
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| InChIKey |
PSLREODRWYTHEC-VUVCYMEASA-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