General Information of the Compound
| Compound ID |
CP0429041
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| Compound Name |
6-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-phenylsulfanyl-5H-pyrrolo[3,4-b]pyridin-7-one
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| Synonyms |
PMID25522065-Compound-29
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| Structure |
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| Formula |
C26H27N3O3S
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| Molecular Weight |
461.587
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| Canonical SMILES |
COc1cc(ccc1OCCN1CCCC1)N1Cc2ccc(Sc3ccccc3)nc2C1=O
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| InChI |
InChI=1S/C26H27N3O3S/c1-31-23-17-20(10-11-22(23)32-16-15-28-13-5-6-14-28)29-18-19-9-12-24(27-25(19)26(29)30)33-21-7-3-2-4-8-21/h2-4,7-12,17H,5-6,13-16,18H2,1H3
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| InChIKey |
PULOMQYOCPKDEH-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
Clinical Information about the Compound