General Information of the Compound
| Compound ID |
CP0550072
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| Compound Name |
US8969325, 64
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| Structure |
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| Formula |
C21H18F3N3O3
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| Molecular Weight |
417.387
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| Canonical SMILES |
Cn1c2cccc(NC(=O)N[C@@H]3CCOc4cc(ccc34)C(F)(F)F)c2ccc1=O
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| InChI |
InChI=1S/C21H18F3N3O3/c1-27-17-4-2-3-15(13(17)7-8-19(27)28)25-20(29)26-16-9-10-30-18-11-12(21(22,23)24)5-6-14(16)18/h2-8,11,16H,9-10H2,1H3,(H2,25,26,29)/t16-/m1/s1
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| InChIKey |
AMGBUJINIRLHKY-MRXNPFEDSA-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