General Information of the Compound
| Compound ID |
CP0550310
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| Compound Name |
1'-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-3'-cyclopropyl-6-fluoro-N-methyl-5'-oxo-2'-sulfanylidenespiro[1,3-dihydroindene-2,4'-imidazolidine]-5-carboxamide
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| Formula |
C23H17F4N5O2S
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| Molecular Weight |
503.481
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| Canonical SMILES |
CNC(=O)c1cc2CC3(Cc2cc1F)N(C1CC1)C(=S)N(C3=O)c1cnc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C23H17F4N5O2S/c1-29-19(33)15-4-11-7-22(8-12(11)5-17(15)24)20(34)31(21(35)32(22)13-2-3-13)14-6-16(23(25,26)27)18(9-28)30-10-14/h4-6,10,13H,2-3,7-8H2,1H3,(H,29,33)
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| InChIKey |
HZOGAMMPPUPHGK-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