General Information of the Compound
| Compound ID |
CP0577709
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| Compound Name |
11-acetamido-N-(3-chloro-4-fluorophenyl)-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 |
C20H22ClFN6O3
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| Molecular Weight |
448.886
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| Canonical SMILES |
CN1CC(Cn2nc3CCN(Cc3c2C1=O)C(=O)Nc1ccc(F)c(Cl)c1)NC(C)=O
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| InChI |
InChI=1S/C20H22ClFN6O3/c1-11(29)23-13-8-26(2)19(30)18-14-10-27(6-5-17(14)25-28(18)9-13)20(31)24-12-3-4-16(22)15(21)7-12/h3-4,7,13H,5-6,8-10H2,1-2H3,(H,23,29)(H,24,31)
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| InChIKey |
BNISIAJSTIHRSS-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