General Information of the Compound
| Compound ID |
CP0463973
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| Compound Name |
US8791272, 2.53
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| Structure |
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| Formula |
C23H22F3N3O3
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| Molecular Weight |
445.441
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| Canonical SMILES |
CCc1nn(Cc2ccc(NC(=O)c3ccc(cc3)C(F)(F)F)cc2)c(C)c1CC(O)=O
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| InChI |
InChI=1S/C23H22F3N3O3/c1-3-20-19(12-21(30)31)14(2)29(28-20)13-15-4-10-18(11-5-15)27-22(32)16-6-8-17(9-7-16)23(24,25)26/h4-11H,3,12-13H2,1-2H3,(H,27,32)(H,30,31)
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| InChIKey |
IOTGFQAPWAHTDB-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