General Information of the Compound
| Compound ID |
CP0270554
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| Compound Name |
3-[1-Benzo[1,3]dioxol-5-yl-2-(4-isopropyl-benzenesulfonylamino)-2-oxo-ethyl]-1-methyl-1H-indole-6-carboxylic acid
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| Structure |
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| Formula |
C28H27N3O6S
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| Molecular Weight |
533.606
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| Canonical SMILES |
CC(C)c1ccc(cc1)S(=O)(=O)NC(=O)C(c1cn(C)c2cc(ccc12)C(N)=O)c1ccc2OCOc2c1
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| InChI |
InChI=1S/C28H27N3O6S/c1-16(2)17-4-8-20(9-5-17)38(34,35)30-28(33)26(18-7-11-24-25(13-18)37-15-36-24)22-14-31(3)23-12-19(27(29)32)6-10-21(22)23/h4-14,16,26H,15H2,1-3H3,(H2,29,32)(H,30,33)
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| InChIKey |
MWZFOVILFVOLMJ-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