General Information of the Compound
| Compound ID |
CP0469790
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| Compound Name |
US9040693, 17
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| Structure |
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| Formula |
C20H16ClN3O4S2
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| Molecular Weight |
461.952
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| Canonical SMILES |
CN(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)c(c1)-n1c(=O)[nH]c2sccc2c1=O
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| InChI |
InChI=1S/C20H16ClN3O4S2/c1-12-4-3-5-13(10-12)23(2)30(27,28)14-6-7-16(21)17(11-14)24-19(25)15-8-9-29-18(15)22-20(24)26/h3-11H,1-2H3,(H,22,26)
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| InChIKey |
KXKVDRUJUMGRSU-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