General Information of the Compound
| Compound ID |
CP0431934
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| Compound Name |
2-(2-ethylphenyl)-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 |
C28H31N3O3
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| Molecular Weight |
457.574
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| Canonical SMILES |
CCc1ccccc1-c1ccc2CN(C(=O)c2n1)c1ccc(OCCN2CCCC2)c(OC)c1
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| InChI |
InChI=1S/C28H31N3O3/c1-3-20-8-4-5-9-23(20)24-12-10-21-19-31(28(32)27(21)29-24)22-11-13-25(26(18-22)33-2)34-17-16-30-14-6-7-15-30/h4-5,8-13,18H,3,6-7,14-17,19H2,1-2H3
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| InChIKey |
JIGSGYVPOWHYGM-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