General Information of the Compound
| Compound ID |
CP0416386
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| Compound Name |
3-[2-(butylamino)ethyl]-5-pyridin-3-yl-1H-indole-4,7-dione
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| Structure |
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| Formula |
C19H21N3O2
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| Molecular Weight |
323.396
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| Canonical SMILES |
CCCCNCCc1c[nH]c2c1C(=O)C(=CC2=O)c1cccnc1
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| InChI |
InChI=1S/C19H21N3O2/c1-2-3-7-20-9-6-14-12-22-18-16(23)10-15(19(24)17(14)18)13-5-4-8-21-11-13/h4-5,8,10-12,20,22H,2-3,6-7,9H2,1H3
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| InChIKey |
PTALNTOMYQXLAG-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