General Information of the Compound
| Compound ID |
CP0568037
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| Compound Name |
1'-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-6-fluoro-N,3'-dimethyl-5'-oxo-2'-sulfanylidenespiro[1,3-dihydroindene-2,4'-imidazolidine]-5-carboxamide
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| Formula |
C21H15F4N5O2S
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| Molecular Weight |
477.443
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| Canonical SMILES |
CNC(=O)c1cc2CC3(Cc2cc1F)N(C)C(=S)N(C3=O)c1cnc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C21H15F4N5O2S/c1-27-17(31)13-3-10-6-20(7-11(10)4-15(13)22)18(32)30(19(33)29(20)2)12-5-14(21(23,24)25)16(8-26)28-9-12/h3-5,9H,6-7H2,1-2H3,(H,27,31)
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| InChIKey |
GVVNCBCLKYSFQV-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