General Information of the Compound
| Compound ID |
CP0146575
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| Compound Name |
3-[1-Benzo[1,3]dioxol-5-yl-2-(2-methoxy-4-methyl-benzenesulfonylamino)-2-oxo-ethyl]-1-methyl-1H-indole-6-carboxylic acid amide
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| Structure |
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| Formula |
C27H25N3O7S
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| Molecular Weight |
535.578
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| Canonical SMILES |
COc1cc(C)ccc1S(=O)(=O)NC(=O)C(c1cn(C)c2cc(ccc12)C(N)=O)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C27H25N3O7S/c1-15-4-9-24(23(10-15)35-3)38(33,34)29-27(32)25(16-6-8-21-22(12-16)37-14-36-21)19-13-30(2)20-11-17(26(28)31)5-7-18(19)20/h4-13,25H,14H2,1-3H3,(H2,28,31)(H,29,32)
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| InChIKey |
XSSAXXJNGRXQCR-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