General Information of the Compound
| Compound ID |
CP0385281
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| Compound Name |
(1S,2S,6R,7R,9S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-9-fluoro-N-methyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.02,6]decane-2-carboxamide
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| Structure |
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| Formula |
C18H17F4N3O3S
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| Molecular Weight |
431.411
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| Canonical SMILES |
CNC(=O)[C@@]12[C@H]3C[C@H](C[C@@H]3F)[C@@H]1CN(c1ccc(C#N)c(c1)C(F)(F)F)S2(=O)=O
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| InChI |
InChI=1S/C18H17F4N3O3S/c1-24-16(26)17-13-4-10(5-15(13)19)14(17)8-25(29(17,27)28)11-3-2-9(7-23)12(6-11)18(20,21)22/h2-3,6,10,13-15H,4-5,8H2,1H3,(H,24,26)/t10-,13+,14+,15+,17-/m1/s1
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| InChIKey |
OSNHJJMUPGAECS-MEELUSRTSA-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