General Information of the Compound
| Compound ID |
CP0518294
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| Compound Name |
US9040693, 25
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| Structure |
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| Formula |
C21H15ClN2O5S
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| Molecular Weight |
442.88
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| Canonical SMILES |
Cc1ccccc1COc1ccc(Cl)c(c1)-n1c(=O)[nH]c2csc(C(O)=O)c2c1=O
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| InChI |
InChI=1S/C21H15ClN2O5S/c1-11-4-2-3-5-12(11)9-29-13-6-7-14(22)16(8-13)24-19(25)17-15(23-21(24)28)10-30-18(17)20(26)27/h2-8,10H,9H2,1H3,(H,23,28)(H,26,27)
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| InChIKey |
DJDXWWYJQLFGPO-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