General Information of the Compound
| Compound ID |
CP0551137
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| Compound Name |
US9796704, Entry 246
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| Structure |
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| Formula |
C20H16Cl2N4O3S
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| Molecular Weight |
463.346
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(CO)n1
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| InChI |
InChI=1S/C20H16Cl2N4O3S/c1-28-17-5-13-16(6-18(17)29-8-12-9-30-19(7-27)25-12)23-10-24-20(13)26-11-2-3-14(21)15(22)4-11/h2-6,9-10,27H,7-8H2,1H3,(H,23,24,26)
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| InChIKey |
ATNQJIZWZJGBST-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