General Information of the Compound
| Compound ID |
CP0405462
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| Compound Name |
N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxamide
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| Structure |
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| Formula |
C23H27F5N4O3
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| Molecular Weight |
502.484
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| Canonical SMILES |
Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC4(CCNC4=O)CC3)C(=O)N(CC(F)(F)F)C2)c1F
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| InChI |
InChI=1S/C23H27F5N4O3/c24-16-3-1-2-15(18(16)25)14-4-5-17(19(33)32(12-14)13-23(26,27)28)30-21(35)31-10-7-22(8-11-31)6-9-29-20(22)34/h1-3,14,17H,4-13H2,(H,29,34)(H,30,35)/t14-,17-/m1/s1
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| InChIKey |
PNWFXOYGKIDOKT-RHSMWYFYSA-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