General Information of the Compound
| Compound ID |
CP0565814
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| Compound Name |
US9150546, I-020
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| Structure |
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| Formula |
C20H18ClF3N4O2
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| Molecular Weight |
438.837
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| Canonical SMILES |
CC(C)n1c(=O)nc(Nc2cccc(c2)C(F)(F)F)n(Cc2ccc(Cl)cc2)c1=O
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| InChI |
InChI=1S/C20H18ClF3N4O2/c1-12(2)28-18(29)26-17(25-16-5-3-4-14(10-16)20(22,23)24)27(19(28)30)11-13-6-8-15(21)9-7-13/h3-10,12H,11H2,1-2H3,(H,25,26,29)
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| InChIKey |
UUGKLNMQRWYVRO-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