General Information of the Compound
| Compound ID |
CP0514024
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| Compound Name |
2-(4-chlorophenyl)sulfanyl-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 |
C26H26ClN3O3S
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| Molecular Weight |
496.032
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| Canonical SMILES |
COc1cc(ccc1OCCN1CCCC1)N1Cc2ccc(Sc3ccc(Cl)cc3)nc2C1=O
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| InChI |
InChI=1S/C26H26ClN3O3S/c1-32-23-16-20(7-10-22(23)33-15-14-29-12-2-3-13-29)30-17-18-4-11-24(28-25(18)26(30)31)34-21-8-5-19(27)6-9-21/h4-11,16H,2-3,12-15,17H2,1H3
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| InChIKey |
DKUIWKQMORELON-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