General Information of the Compound
| Compound ID |
CP0924227
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| Compound Name |
US9126941, RD92
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| Structure |
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| Formula |
C28H22F3N5S2
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| Molecular Weight |
549.647
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| Canonical SMILES |
[C-]#[N+]c1ccc(N2C(=S)N(c3ccc(C)cc3)C3(CCC3)/C2=N/C(=S)Nc2ccccc2)cc1C(F)(F)F
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| InChI |
InChI=1S/C28H22F3N5S2/c1-18-9-11-20(12-10-18)36-26(38)35(21-13-14-23(32-2)22(17-21)28(29,30)31)24(27(36)15-6-16-27)34-25(37)33-19-7-4-3-5-8-19/h3-5,7-14,17H,6,15-16H2,1H3,(H,33,37)/b34-24-
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| InChIKey |
ZVDSLFFXKSQESW-BCJTWVECSA-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