General Information of the Compound
| Compound ID |
CP0130019
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| Compound Name |
3-[1-(5-Methoxy-1-methyl-1H-indol-3-yl)-meth-(Z)-ylidene]-2-oxo-2,3-dihydro-1H-indole-5-sulfonic acid dimethylamide
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| Structure |
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| Formula |
C21H21N3O4S
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| Molecular Weight |
411.483
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| Canonical SMILES |
COc1ccc2n(C)cc(\C=C3/C(=O)Nc4ccc(cc34)S(=O)(=O)N(C)C)c2c1
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| InChI |
InChI=1S/C21H21N3O4S/c1-23(2)29(26,27)15-6-7-19-17(11-15)18(21(25)22-19)9-13-12-24(3)20-8-5-14(28-4)10-16(13)20/h5-12H,1-4H3,(H,22,25)/b18-9-
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| InChIKey |
IUYOPWGGWWAKPE-NVMNQCDNSA-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