General Information of the Compound
| Compound ID |
CP0569649
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| Compound Name |
US8791272, 12.2
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| Structure |
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| Formula |
C23H21F3N2O2
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| Molecular Weight |
414.427
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| Canonical SMILES |
Cc1nn(Cc2ccc(\C=C\c3ccc(cc3)C(F)(F)F)cc2)c(C)c1CC(O)=O
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| InChI |
InChI=1S/C23H21F3N2O2/c1-15-21(13-22(29)30)16(2)28(27-15)14-19-7-5-17(6-8-19)3-4-18-9-11-20(12-10-18)23(24,25)26/h3-12H,13-14H2,1-2H3,(H,29,30)/b4-3+
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| InChIKey |
ABLSCNVAYZOKFJ-ONEGZZNKSA-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