General Information of the Compound
| Compound ID |
CP0555882
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| Compound Name |
US9150546, I-269
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| Structure |
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| Formula |
C19H18ClFN4O3
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| Molecular Weight |
404.829
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| Canonical SMILES |
CC(C)Oc1ccc(Nc2nc(=O)[nH]c(=O)n2Cc2ccc(Cl)cc2)cc1F
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| InChI |
InChI=1S/C19H18ClFN4O3/c1-11(2)28-16-8-7-14(9-15(16)21)22-17-23-18(26)24-19(27)25(17)10-12-3-5-13(20)6-4-12/h3-9,11H,10H2,1-2H3,(H2,22,23,24,26,27)
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| InChIKey |
AJVAAPSNYAVHDF-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