General Information of the Compound
| Compound ID |
CP0558374
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| Compound Name |
(1R,2R,6R,7S)-4-[4-cyano-3-(trifluoromethyl)phenyl]-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 |
C17H16F3N3O3S
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| Molecular Weight |
399.394
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| Canonical SMILES |
NC(=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/C17H16F3N3O3S/c18-17(19,20)13-6-12(4-2-10(13)7-21)23-8-14-9-1-3-11(5-9)16(14,15(22)24)27(23,25)26/h2,4,6,9,11,14H,1,3,5,8H2,(H2,22,24)/t9-,11+,14-,16+/m0/s1
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| InChIKey |
MZTKDGVIZFSWEK-CUNZKTQSSA-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