General Information of the Compound
| Compound ID |
CP0485585
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| Compound Name |
1'-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-N,3'-dimethyl-5'-oxo-2'-sulfanylidenespiro[1,3-dihydroindene-2,4'-imidazolidine]-5-carboxamide
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| Formula |
C21H16F3N5O2S
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| Molecular Weight |
459.453
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| Canonical SMILES |
CNC(=O)c1ccc2CC3(Cc2c1)N(C)C(=S)N(C3=O)c1cnc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C21H16F3N5O2S/c1-26-17(30)11-3-4-12-7-20(8-13(12)5-11)18(31)29(19(32)28(20)2)14-6-15(21(22,23)24)16(9-25)27-10-14/h3-6,10H,7-8H2,1-2H3,(H,26,30)
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| InChIKey |
DJLIYOROHHWHGX-UHFFFAOYSA-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