General Information of the Compound
| Compound ID |
CP0468374
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| Compound Name |
US9126941, RD54
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| Structure |
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| Formula |
C22H15F3N4OS
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| Molecular Weight |
440.45
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| Canonical SMILES |
FC(F)(F)c1cc(ccc1[N+]#[C-])N1C(=S)N(c2ccc(cc2)C#N)C2(CCCC2)C1=O
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| InChI |
InChI=1S/C22H15F3N4OS/c1-27-18-9-8-16(12-17(18)22(23,24)25)28-19(30)21(10-2-3-11-21)29(20(28)31)15-6-4-14(13-26)5-7-15/h4-9,12H,2-3,10-11H2
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| InChIKey |
SGLMOAWVPSKKAZ-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