General Information of the Compound
| Compound ID |
CP0930031
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| Compound Name |
US9126941, RD93
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| Structure |
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| Formula |
C30H20F6N6S2
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| Molecular Weight |
642.654
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| Canonical SMILES |
[C-]#[N+]c1ccc(N2C(=S)N(c3ccc(C)cc3)C3(CCC3)/C2=N/C(=S)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1C(F)(F)F
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| InChI |
InChI=1S/C30H20F6N6S2/c1-17-4-8-20(9-5-17)42-27(44)41(21-10-11-24(38-2)23(15-21)30(34,35)36)25(28(42)12-3-13-28)40-26(43)39-19-7-6-18(16-37)22(14-19)29(31,32)33/h4-11,14-15H,3,12-13H2,1H3,(H,39,43)/b40-25-
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| InChIKey |
FPOQUWFDJNXDBC-QNHWSJEBSA-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