General Information of the Compound
| Compound ID |
CP0546544
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| Compound Name |
N-(3-chloro-4-fluorophenyl)-11-(dimethylamino)-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 |
C20H24ClFN6O2
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| Molecular Weight |
434.903
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| Canonical SMILES |
CN(C)C1CN(C)C(=O)c2c3CN(CCc3nn2C1)C(=O)Nc1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C20H24ClFN6O2/c1-25(2)13-9-26(3)19(29)18-14-11-27(7-6-17(14)24-28(18)10-13)20(30)23-12-4-5-16(22)15(21)8-12/h4-5,8,13H,6-7,9-11H2,1-3H3,(H,23,30)
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| InChIKey |
PTJUBLRWFKWEAP-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