General Information of the Compound
| Compound ID |
CP0563608
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| Compound Name |
(2R)-1'-[4-cyano-3-(trifluoromethyl)phenyl]-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 |
C24H20F4N4O2S
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| Molecular Weight |
504.509
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| Canonical SMILES |
CNC(=O)c1cc2C[C@]3(Cc2cc1F)N(C(C)C)C(=S)N(C3=O)c1ccc(C#N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C24H20F4N4O2S/c1-12(2)32-22(35)31(16-5-4-13(11-29)18(8-16)24(26,27)28)21(34)23(32)9-14-6-17(20(33)30-3)19(25)7-15(14)10-23/h4-8,12H,9-10H2,1-3H3,(H,30,33)/t23-/m1/s1
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| InChIKey |
GYLMJPQITNEESX-HSZRJFAPSA-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