General Information of the Compound
| Compound ID |
CP0449046
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| Compound Name |
6-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-(4-propylphenyl)-5H-pyrrolo[3,4-b]pyridin-7-one
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| Structure |
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| Formula |
C29H33N3O3
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| Molecular Weight |
471.601
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| Canonical SMILES |
CCCc1ccc(cc1)-c1ccc2CN(C(=O)c2n1)c1ccc(OCCN2CCCC2)c(OC)c1
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| InChI |
InChI=1S/C29H33N3O3/c1-3-6-21-7-9-22(10-8-21)25-13-11-23-20-32(29(33)28(23)30-25)24-12-14-26(27(19-24)34-2)35-18-17-31-15-4-5-16-31/h7-14,19H,3-6,15-18,20H2,1-2H3
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| InChIKey |
ZBYCVVYNJNMXCU-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