General Information of the Compound
| Compound ID |
CP0514026
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| Compound Name |
2-(4-ethenylphenyl)-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 |
C28H29N3O3
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| Molecular Weight |
455.558
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| Canonical SMILES |
COc1cc(ccc1OCCN1CCCC1)N1Cc2ccc(nc2C1=O)-c1ccc(C=C)cc1
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| InChI |
InChI=1S/C28H29N3O3/c1-3-20-6-8-21(9-7-20)24-12-10-22-19-31(28(32)27(22)29-24)23-11-13-25(26(18-23)33-2)34-17-16-30-14-4-5-15-30/h3,6-13,18H,1,4-5,14-17,19H2,2H3
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| InChIKey |
ZVBWSCNFEZNYOE-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