General Information of the Compound
| Compound ID |
CP0387052
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| Compound Name |
N-(3-tert-butyl-1H-indol-6-yl)-4-oxo-1H-quinoline-3-carboxamide
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| Structure |
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| Formula |
C22H21N3O2
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| Molecular Weight |
359.429
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| Canonical SMILES |
CC(C)(C)c1c[nH]c2cc(NC(=O)c3c[nH]c4ccccc4c3=O)ccc12
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| InChI |
InChI=1S/C22H21N3O2/c1-22(2,3)17-12-24-19-10-13(8-9-14(17)19)25-21(27)16-11-23-18-7-5-4-6-15(18)20(16)26/h4-12,24H,1-3H3,(H,23,26)(H,25,27)
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| InChIKey |
WZDRQXORFYIGGS-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