General Information of the Compound
| Compound ID |
CP0555884
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| Compound Name |
US9150546, I-296
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| Structure |
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| Formula |
C21H20ClFN4O4
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| Molecular Weight |
446.866
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| Canonical SMILES |
CC(C)Oc1ccc(Nc2nc(=O)n(C(C)=O)c(=O)n2Cc2ccc(Cl)cc2)cc1F
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| InChI |
InChI=1S/C21H20ClFN4O4/c1-12(2)31-18-9-8-16(10-17(18)23)24-19-25-20(29)27(13(3)28)21(30)26(19)11-14-4-6-15(22)7-5-14/h4-10,12H,11H2,1-3H3,(H,24,25,29)
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| InChIKey |
TZVHQOORWPGESA-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