General Information of the Compound
| Compound ID |
CP0134357
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| Compound Name |
3-[1-Benzo[1,3]dioxol-5-yl-2-(4-isopropyl-benzenesulfonylamino)-2-oxo-ethyl]-1-ethyl-1H-indole-6-carboxylic acid
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| Structure |
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| Formula |
C29H28N2O7S
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| Molecular Weight |
548.617
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| Canonical SMILES |
CCn1cc(C(C(=O)NS(=O)(=O)c2ccc(cc2)C(C)C)c2ccc3OCOc3c2)c2ccc(cc12)C(O)=O
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| InChI |
InChI=1S/C29H28N2O7S/c1-4-31-15-23(22-11-7-20(29(33)34)13-24(22)31)27(19-8-12-25-26(14-19)38-16-37-25)28(32)30-39(35,36)21-9-5-18(6-10-21)17(2)3/h5-15,17,27H,4,16H2,1-3H3,(H,30,32)(H,33,34)
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| InChIKey |
GBDHMDQPXDYBRO-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