General Information of the Compound
| Compound ID |
CP0263705
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| Compound Name |
US9233968, 2
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| Structure |
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| Formula |
C22H14F3N5O
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| Molecular Weight |
421.382
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| Canonical SMILES |
FC(F)(F)c1cccc(NC(=O)Nc2ccc(cc2)C#Cc2ccc3nccn3n2)c1
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| InChI |
InChI=1S/C22H14F3N5O/c23-22(24,25)16-2-1-3-19(14-16)28-21(31)27-17-7-4-15(5-8-17)6-9-18-10-11-20-26-12-13-30(20)29-18/h1-5,7-8,10-14H,(H2,27,28,31)
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| InChIKey |
ZGZGMIIAIXDTAO-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