General Information of the Compound
| Compound ID |
CP0477810
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| Compound Name |
US9278960, 2-24
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| Structure |
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| Formula |
C21H15ClFN3O3
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| Molecular Weight |
411.82
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| Canonical SMILES |
NC(=O)c1cc(-c2ccc(F)cc2Cl)c2ccc(CN3C(=O)CCC3=O)cc2n1
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| InChI |
InChI=1S/C21H15ClFN3O3/c22-16-8-12(23)2-4-13(16)15-9-18(21(24)29)25-17-7-11(1-3-14(15)17)10-26-19(27)5-6-20(26)28/h1-4,7-9H,5-6,10H2,(H2,24,29)
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| InChIKey |
OYBJHDUNIMNXFB-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