General Information of the Compound
| Compound ID |
CP0529026
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| Compound Name |
US8629282, 25
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| Structure |
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| Formula |
C26H21F3N4O6
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| Molecular Weight |
542.47
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| Canonical SMILES |
O[C@H]1[C@H](COc2cc(ccc12)-c1noc(n1)-c1onc(c1C(F)(F)F)-c1ccccc1)NC1CC(C1)C(O)=O
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| InChI |
InChI=1S/C26H21F3N4O6/c27-26(28,29)19-20(12-4-2-1-3-5-12)32-38-22(19)24-31-23(33-39-24)13-6-7-16-18(10-13)37-11-17(21(16)34)30-15-8-14(9-15)25(35)36/h1-7,10,14-15,17,21,30,34H,8-9,11H2,(H,35,36)/t14?,15?,17-,21+/m0/s1
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| InChIKey |
IVNNCMRZQKFXQE-GLXDCOBASA-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