General Information of the Compound
| Compound ID |
CP0556419
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| Compound Name |
US8993612, 12
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| Structure |
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| Formula |
C26H23FN4O
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| Molecular Weight |
426.495
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| Canonical SMILES |
Fc1cc(NC(=O)Cc2ccc3ncccc3c2)ccc1-n1nc(cc1C1CC1)C1CC1
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| InChI |
InChI=1S/C26H23FN4O/c27-21-14-20(29-26(32)13-16-3-9-22-19(12-16)2-1-11-28-22)8-10-24(21)31-25(18-6-7-18)15-23(30-31)17-4-5-17/h1-3,8-12,14-15,17-18H,4-7,13H2,(H,29,32)
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| InChIKey |
ZZIHFXTVTKGFQN-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