General Information of the Compound
| Compound ID |
CP0576830
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| Compound Name |
N-(3-chloro-4-fluorophenyl)-11,11-difluoro-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 |
C18H17ClF3N5O2
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| Molecular Weight |
427.814
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| Canonical SMILES |
CN1CC(F)(F)Cn2nc3CCN(Cc3c2C1=O)C(=O)Nc1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C18H17ClF3N5O2/c1-25-8-18(21,22)9-27-15(16(25)28)11-7-26(5-4-14(11)24-27)17(29)23-10-2-3-13(20)12(19)6-10/h2-3,6H,4-5,7-9H2,1H3,(H,23,29)
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| InChIKey |
WSZVYOPIQIQKML-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