General Information of the Compound
| Compound ID |
CP0563130
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| Compound Name |
US9434711, 20
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| Structure |
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| Formula |
C25H18F2N2O2S2
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| Molecular Weight |
480.561
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(Cc1ccc(F)c(F)c1)S(=O)(=O)c1cccc2cccnc12
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| InChI |
InChI=1S/C25H18F2N2O2S2/c1-16-19-8-2-3-9-22(19)32-25(16)29(15-17-11-12-20(26)21(27)14-17)33(30,31)23-10-4-6-18-7-5-13-28-24(18)23/h2-14H,15H2,1H3
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| InChIKey |
DKWWXMMXKKVKID-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