General Information of the Compound
| Compound ID |
CP0422902
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| Compound Name |
2-(4-ethoxyphenyl)-4-(4-fluoropiperidine-1-carbonyl)-6,7-dimethoxyisoquinolin-1-one
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| Structure |
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| Formula |
C25H27FN2O5
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| Molecular Weight |
454.498
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| Canonical SMILES |
CCOc1ccc(cc1)-n1cc(C(=O)N2CCC(F)CC2)c2cc(OC)c(OC)cc2c1=O
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| InChI |
InChI=1S/C25H27FN2O5/c1-4-33-18-7-5-17(6-8-18)28-15-21(24(29)27-11-9-16(26)10-12-27)19-13-22(31-2)23(32-3)14-20(19)25(28)30/h5-8,13-16H,4,9-12H2,1-3H3
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| InChIKey |
VPXCUAAVWXOZCN-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