General Information of the Compound
| Compound ID |
CP0517675
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| Compound Name |
2-(4-fluorophenyl)-6-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5H-pyrrolo[3,4-b]pyridin-7-one
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| Structure |
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| Formula |
C26H26FN3O3
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| Molecular Weight |
447.51
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| Canonical SMILES |
COc1cc(ccc1OCCN1CCCC1)N1Cc2ccc(nc2C1=O)-c1ccc(F)cc1
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| InChI |
InChI=1S/C26H26FN3O3/c1-32-24-16-21(9-11-23(24)33-15-14-29-12-2-3-13-29)30-17-19-6-10-22(28-25(19)26(30)31)18-4-7-20(27)8-5-18/h4-11,16H,2-3,12-15,17H2,1H3
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| InChIKey |
LHHWWEWLONPSSU-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