General Information of the Compound
| Compound ID |
CP0391791
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| Compound Name |
6-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-2-[(4-methylphenyl)methyl]-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 |
COc1cc(ccc1OCCN1CCCC1)N1Cc2ccc(Cc3ccc(C)cc3)nc2C1=O
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| InChI |
InChI=1S/C28H31N3O3/c1-20-5-7-21(8-6-20)17-23-10-9-22-19-31(28(32)27(22)29-23)24-11-12-25(26(18-24)33-2)34-16-15-30-13-3-4-14-30/h5-12,18H,3-4,13-17,19H2,1-2H3
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| InChIKey |
YIRIGZKRIBCAKM-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