General Information of the Compound
| Compound ID |
CP0385280
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| Compound Name |
(1R,2R,6R,7S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-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 |
C18H18F3N3O3S
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| Molecular Weight |
413.421
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| Canonical SMILES |
CNC(=O)[C@@]12[C@@H]3CC[C@@H](C3)[C@@H]1CN(c1ccc(C#N)c(c1)C(F)(F)F)S2(=O)=O
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| InChI |
InChI=1S/C18H18F3N3O3S/c1-23-16(25)17-12-4-2-10(6-12)15(17)9-24(28(17,26)27)13-5-3-11(8-22)14(7-13)18(19,20)21/h3,5,7,10,12,15H,2,4,6,9H2,1H3,(H,23,25)/t10-,12+,15-,17+/m0/s1
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| InChIKey |
FDJVLWRVELKFRX-AGLBBYSZSA-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