General Information of the Compound
| Compound ID |
CP0420014
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| Compound Name |
(2S)-1'-[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-6-fluoro-N-methyl-5'-oxo-3'-propan-2-yl-2'-sulfanylidenespiro[1,3-dihydroindene-2,4'-imidazolidine]-5-carboxamide
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| Formula |
C23H19F4N5O2S
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| Molecular Weight |
505.497
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| Canonical SMILES |
CNC(=O)c1cc2C[C@@]3(Cc2cc1F)N(C(C)C)C(=S)N(C3=O)c1cnc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C23H19F4N5O2S/c1-11(2)32-21(35)31(14-6-16(23(25,26)27)18(9-28)30-10-14)20(34)22(32)7-12-4-15(19(33)29-3)17(24)5-13(12)8-22/h4-6,10-11H,7-8H2,1-3H3,(H,29,33)/t22-/m0/s1
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| InChIKey |
VUBVBCFCFVJNCF-QFIPXVFZSA-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