General Information of the Compound
| Compound ID |
CP0471987
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| Compound Name |
3-[3-[[benzenesulfonyl(methyl)amino]methyl]-4-methylphenyl]-3-(1-methylbenzotriazol-5-yl)propanoic acid
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| Structure |
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| Formula |
C25H26N4O4S
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| Molecular Weight |
478.574
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| Canonical SMILES |
CN(Cc1cc(ccc1C)C(CC(O)=O)c1ccc2n(C)nnc2c1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C25H26N4O4S/c1-17-9-10-18(13-20(17)16-28(2)34(32,33)21-7-5-4-6-8-21)22(15-25(30)31)19-11-12-24-23(14-19)26-27-29(24)3/h4-14,22H,15-16H2,1-3H3,(H,30,31)
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| InChIKey |
QJFXAWTUFRGEDO-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
Protein ID: PT03126, Kelch-like ECH-associated protein 1
Protein ID: PT04367, Nuclear factor erythroid 2-related factor 2