General Information of the Compound
| Compound ID |
CP0527745
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| Compound Name |
2-[(4-tert-butylphenyl)methyl]-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 |
C31H37N3O3
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| Molecular Weight |
499.655
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| Canonical SMILES |
COc1cc(ccc1OCCN1CCCC1)N1Cc2ccc(Cc3ccc(cc3)C(C)(C)C)nc2C1=O
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| InChI |
InChI=1S/C31H37N3O3/c1-31(2,3)24-10-7-22(8-11-24)19-25-12-9-23-21-34(30(35)29(23)32-25)26-13-14-27(28(20-26)36-4)37-18-17-33-15-5-6-16-33/h7-14,20H,5-6,15-19,21H2,1-4H3
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| InChIKey |
VFKZSEIYQXPBJD-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