General Information of the Compound
| Compound ID |
CP0576566
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| Compound Name |
N-(3-chloro-4-fluorophenyl)-4-methyl-3-oxo-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-12-carboxamide
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| Structure |
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| Formula |
C17H17ClFN5O2
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| Molecular Weight |
377.807
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| Canonical SMILES |
CN1CCn2nc3CCN(Cc3c2C1=O)C(=O)Nc1ccc(F)c(Cl)c1
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| InChI |
InChI=1S/C17H17ClFN5O2/c1-22-6-7-24-15(16(22)25)11-9-23(5-4-14(11)21-24)17(26)20-10-2-3-13(19)12(18)8-10/h2-3,8H,4-7,9H2,1H3,(H,20,26)
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| InChIKey |
SEEPDOLNLMOXHV-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