General Information of the Compound
| Compound ID |
CP0527747
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| Compound Name |
6-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(4-methylphenyl)-5H-pyrrolo[3,4-b]pyridin-7-one
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| Structure |
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| Formula |
C27H29N3O3
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| Molecular Weight |
443.547
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| Canonical SMILES |
COc1cc(ccc1OCCN1CCCC1)N1Cc2ccc(nc2C1=O)-c1ccc(C)cc1
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| InChI |
InChI=1S/C27H29N3O3/c1-19-5-7-20(8-6-19)23-11-9-21-18-30(27(31)26(21)28-23)22-10-12-24(25(17-22)32-2)33-16-15-29-13-3-4-14-29/h5-12,17H,3-4,13-16,18H2,1-2H3
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| InChIKey |
GTUFFPHFBPXMMS-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