General Information of the Compound
| Compound ID |
CP0447578
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| Compound Name |
N-[(3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-yl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
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| Structure |
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| Formula |
C22H24F5N5O4
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| Molecular Weight |
517.455
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| Canonical SMILES |
Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC4(CC3)NC(=O)NC4=O)C(=O)N(CC(F)(F)F)C2)c1F
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| InChI |
InChI=1S/C22H24F5N5O4/c23-14-3-1-2-13(16(14)24)12-4-5-15(17(33)32(10-12)11-22(25,26)27)28-20(36)31-8-6-21(7-9-31)18(34)29-19(35)30-21/h1-3,12,15H,4-11H2,(H,28,36)(H2,29,30,34,35)/t12-,15-/m1/s1
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| InChIKey |
NKCVPKFVQNFFQV-IUODEOHRSA-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