General Information of the Compound
| Compound ID |
CP0532269
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| Compound Name |
3-[2-(2,2-dimethylpropylamino)ethyl]-5-pyridin-3-yl-1H-indole-4,7-dione
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| Structure |
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| Formula |
C20H23N3O2
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| Molecular Weight |
337.423
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| Canonical SMILES |
CC(C)(C)CNCCc1c[nH]c2c1C(=O)C(=CC2=O)c1cccnc1
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| InChI |
InChI=1S/C20H23N3O2/c1-20(2,3)12-22-8-6-14-11-23-18-16(24)9-15(19(25)17(14)18)13-5-4-7-21-10-13/h4-5,7,9-11,22-23H,6,8,12H2,1-3H3
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| InChIKey |
VEOLSQVPTKSVQG-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