General Information of the Compound
| Compound ID |
CP0484128
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| Compound Name |
US9040693, 146
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| Structure |
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| Formula |
C23H17ClN2O5S
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| Molecular Weight |
468.918
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| Canonical SMILES |
CC(C)(C(=O)c1ccc(Cl)c(c1)-n1c(=O)[nH]c2csc(C(O)=O)c2c1=O)c1ccccc1
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| InChI |
InChI=1S/C23H17ClN2O5S/c1-23(2,13-6-4-3-5-7-13)19(27)12-8-9-14(24)16(10-12)26-20(28)17-15(25-22(26)31)11-32-18(17)21(29)30/h3-11H,1-2H3,(H,25,31)(H,29,30)
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| InChIKey |
GESMLOLDXJKZBV-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