General Information of the Compound
| Compound ID |
CP0469791
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| Compound Name |
US9040693, 95
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| Structure |
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| Formula |
C21H14ClN3O5S
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| Molecular Weight |
455.879
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| Canonical SMILES |
CN(C(=O)c1ccc(Cl)c(c1)-n1c(=O)[nH]c2csc(C(O)=O)c2c1=O)c1ccccc1
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| InChI |
InChI=1S/C21H14ClN3O5S/c1-24(12-5-3-2-4-6-12)18(26)11-7-8-13(22)15(9-11)25-19(27)16-14(23-21(25)30)10-31-17(16)20(28)29/h2-10H,1H3,(H,23,30)(H,28,29)
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| InChIKey |
YXEAJXIICFKZNU-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