General Information of the Compound
| Compound ID |
CP0400557
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| Compound Name |
US8969325, 324
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| Structure |
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| Formula |
C21H18F5N3O4
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| Molecular Weight |
471.382
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| Canonical SMILES |
FCC1(CF)C[C@@H](NC(=O)Nc2ccc3OCC(=O)Nc3c2)c2ccc(cc2O1)C(F)(F)F
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| InChI |
InChI=1S/C21H18F5N3O4/c22-9-20(10-23)7-15(13-3-1-11(21(24,25)26)5-17(13)33-20)29-19(31)27-12-2-4-16-14(6-12)28-18(30)8-32-16/h1-6,15H,7-10H2,(H,28,30)(H2,27,29,31)/t15-/m1/s1
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| InChIKey |
RMOQNELWQGTAMG-OAHLLOKOSA-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