General Information of the Compound
| Compound ID |
CP0500058
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| Compound Name |
US9126941, RD57
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| Structure |
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| Formula |
C26H18F3N3OS
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| Molecular Weight |
477.511
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| Canonical SMILES |
FC(F)(F)c1cc(ccc1[N+]#[C-])N1C(=S)N(c2ccc(cc2)-c2ccccc2)C2(CCC2)C1=O
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| InChI |
InChI=1S/C26H18F3N3OS/c1-30-22-13-12-20(16-21(22)26(27,28)29)31-23(33)25(14-5-15-25)32(24(31)34)19-10-8-18(9-11-19)17-6-3-2-4-7-17/h2-4,6-13,16H,5,14-15H2
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| InChIKey |
ISHWVZWGZAVDNP-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