General Information of the Compound
| Compound ID |
CP0428797
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| Compound Name |
2-(3-methoxyphenyl)-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 |
C27H29N3O4
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| Molecular Weight |
459.546
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| Canonical SMILES |
COc1cccc(c1)-c1ccc2CN(C(=O)c2n1)c1ccc(OCCN2CCCC2)c(OC)c1
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| InChI |
InChI=1S/C27H29N3O4/c1-32-22-7-5-6-19(16-22)23-10-8-20-18-30(27(31)26(20)28-23)21-9-11-24(25(17-21)33-2)34-15-14-29-12-3-4-13-29/h5-11,16-17H,3-4,12-15,18H2,1-2H3
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| InChIKey |
QTORSCZTNDMGIF-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