General Information of the Compound
| Compound ID |
CP0499292
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| Compound Name |
2-(3,4-difluorophenyl)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 |
C26H25F2N3O3S
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| Molecular Weight |
497.567
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| Canonical SMILES |
COc1cc(ccc1OCCN1CCCC1)N1Cc2ccc(Sc3ccc(F)c(F)c3)nc2C1=O
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| InChI |
InChI=1S/C26H25F2N3O3S/c1-33-23-14-18(5-8-22(23)34-13-12-30-10-2-3-11-30)31-16-17-4-9-24(29-25(17)26(31)32)35-19-6-7-20(27)21(28)15-19/h4-9,14-15H,2-3,10-13,16H2,1H3
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| InChIKey |
DEALZFUFOAKPQB-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