General Information of the Compound
| Compound ID |
CP0520543
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| Compound Name |
US9199981, F82
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| Structure |
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| Formula |
C24H19F2N7O2
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| Molecular Weight |
475.459
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| Canonical SMILES |
Cc1ccc(cc1NC(=O)c1cnc2ccc(cn12)-n1ccnc1)-c1noc(n1)C1CC(F)(F)C1
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| InChI |
InChI=1S/C24H19F2N7O2/c1-14-2-3-15(21-30-23(35-31-21)16-9-24(25,26)10-16)8-18(14)29-22(34)19-11-28-20-5-4-17(12-33(19)20)32-7-6-27-13-32/h2-8,11-13,16H,9-10H2,1H3,(H,29,34)
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| InChIKey |
SOFQDQXWUZWZKY-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