General Information of the Compound
| Compound ID |
CP0557594
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| Compound Name |
US8969325, 120
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| Structure |
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| Formula |
C19H16F3N3O4
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| Molecular Weight |
407.348
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| Canonical SMILES |
FC(F)(F)c1cccc2[C@@H](CCOc12)NC(=O)Nc1ccc2OCC(=O)Nc2c1
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| InChI |
InChI=1S/C19H16F3N3O4/c20-19(21,22)12-3-1-2-11-13(6-7-28-17(11)12)25-18(27)23-10-4-5-15-14(8-10)24-16(26)9-29-15/h1-5,8,13H,6-7,9H2,(H,24,26)(H2,23,25,27)/t13-/m1/s1
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| InChIKey |
SIZRGZYNIZBTIB-CYBMUJFWSA-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