General Information of the Compound
| Compound ID |
CP0305328
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| Compound Name |
5-(3,3-difluoroprop-2-enyl)-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinoline
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| Structure |
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| Formula |
C23H23F2NO2
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| Molecular Weight |
383.438
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| Canonical SMILES |
COc1cccc2OC(CC=C(F)F)c3c(ccc4NC(C)(C)C=C(C)c34)-c12
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| InChI |
InChI=1S/C23H23F2NO2/c1-13-12-23(2,3)26-15-9-8-14-21-16(27-4)6-5-7-17(21)28-18(10-11-19(24)25)22(14)20(13)15/h5-9,11-12,18,26H,10H2,1-4H3
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| InChIKey |
MACROYAVMFWALR-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