General Information of the Compound
| Compound ID |
CP0574725
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| Compound Name |
US9796704, Entry 245
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| Structure |
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| Formula |
C27H20Cl2N4O4S
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| Molecular Weight |
567.454
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| Canonical SMILES |
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(COC(=O)c2ccccc2)n1
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| InChI |
InChI=1S/C27H20Cl2N4O4S/c1-35-23-10-19-22(30-15-31-26(19)33-17-7-8-20(28)21(29)9-17)11-24(23)36-12-18-14-38-25(32-18)13-37-27(34)16-5-3-2-4-6-16/h2-11,14-15H,12-13H2,1H3,(H,30,31,33)
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| InChIKey |
SROSEDFOBYVYCH-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