General Information of the Compound
| Compound ID |
CP0420288
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| Compound Name |
3-[2-(dimethylamino)ethyl]-5-pyridin-3-yl-1H-indole-4,7-dione
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| Structure |
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| Formula |
C17H17N3O2
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| Molecular Weight |
295.342
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| Canonical SMILES |
CN(C)CCc1c[nH]c2c1C(=O)C(=CC2=O)c1cccnc1
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| InChI |
InChI=1S/C17H17N3O2/c1-20(2)7-5-12-10-19-16-14(21)8-13(17(22)15(12)16)11-4-3-6-18-9-11/h3-4,6,8-10,19H,5,7H2,1-2H3
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| InChIKey |
DUEZFYQJOXIRQP-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