General Information of the Compound
| Compound ID |
CP0578358
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| Compound Name |
N-(3-chloro-4-fluorophenyl)-11-(2,2-difluoroethoxy)-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
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| Structure |
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| Formula |
C20H21ClF3N5O3
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| Molecular Weight |
471.867
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| Canonical SMILES |
CN1CC(Cn2nc3CCN(Cc3c2C1=O)C(=O)Nc1ccc(F)c(Cl)c1)OCC(F)F
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| InChI |
InChI=1S/C20H21ClF3N5O3/c1-27-7-12(32-10-17(23)24)8-29-18(19(27)30)13-9-28(5-4-16(13)26-29)20(31)25-11-2-3-15(22)14(21)6-11/h2-3,6,12,17H,4-5,7-10H2,1H3,(H,25,31)
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| InChIKey |
QNKREISWIDTCBN-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