General Information of the Compound
| Compound ID |
CP0471989
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| Compound Name |
3-(7-methoxy-1-methyl-1H-1,2,3-benzotriazol-5-yl)-3-{4-methyl-3-[(N-methylbenzenesulfonamido)methyl]phenyl}propanoic acid
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| Structure |
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| Formula |
C26H28N4O5S
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| Molecular Weight |
508.6
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| Canonical SMILES |
COc1cc(cc2nnn(C)c12)C(CC(O)=O)c1ccc(C)c(CN(C)S(=O)(=O)c2ccccc2)c1
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| InChI |
InChI=1S/C26H28N4O5S/c1-17-10-11-18(12-20(17)16-29(2)36(33,34)21-8-6-5-7-9-21)22(15-25(31)32)19-13-23-26(24(14-19)35-4)30(3)28-27-23/h5-14,22H,15-16H2,1-4H3,(H,31,32)
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| InChIKey |
VVWDXVKKAYFKNL-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