General Information of the Compound
| Compound ID |
CP0545644
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| Compound Name |
US9126941, RD85
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| Structure |
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| Formula |
C24H16F3N3OS
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| Molecular Weight |
451.473
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| Canonical SMILES |
FC(F)(F)c1cc(ccc1[N+]#[C-])N1C(=S)N(c2ccc3ccccc3c2)C2(CCC2)C1=O
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| InChI |
InChI=1S/C24H16F3N3OS/c1-28-20-10-9-17(14-19(20)24(25,26)27)29-21(31)23(11-4-12-23)30(22(29)32)18-8-7-15-5-2-3-6-16(15)13-18/h2-3,5-10,13-14H,4,11-12H2
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| InChIKey |
UIYHSTBPTUPORU-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