General Information of the Compound
| Compound ID |
CP0563710
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| Compound Name |
US9150546, I-243
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| Structure |
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| Formula |
C20H20Cl2N4O3
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| Molecular Weight |
435.311
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| Canonical SMILES |
COc1ccc(Nc2nc(=O)n(C(C)C)c(=O)n2Cc2ccc(Cl)cc2)cc1Cl
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| InChI |
InChI=1S/C20H20Cl2N4O3/c1-12(2)26-19(27)24-18(23-15-8-9-17(29-3)16(22)10-15)25(20(26)28)11-13-4-6-14(21)7-5-13/h4-10,12H,11H2,1-3H3,(H,23,24,27)
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| InChIKey |
MOCLUEIBJVFEID-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