General Information of the Compound
| Compound ID |
CP0530243
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| Compound Name |
3-{4-chloro-3-[(N-methylpyridine-3-sulfonamido)methyl]phenyl}-3-(1-methyl-1H-1,2,3-benzotriazol-5-yl)propanoic acid
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| Structure |
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| Formula |
C23H22ClN5O4S
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| Molecular Weight |
499.98
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| Canonical SMILES |
CN(Cc1cc(ccc1Cl)C(CC(O)=O)c1ccc2n(C)nnc2c1)S(=O)(=O)c1cccnc1
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| InChI |
InChI=1S/C23H22ClN5O4S/c1-28(34(32,33)18-4-3-9-25-13-18)14-17-10-15(5-7-20(17)24)19(12-23(30)31)16-6-8-22-21(11-16)26-27-29(22)2/h3-11,13,19H,12,14H2,1-2H3,(H,30,31)
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| InChIKey |
MFYPHSBKCCZZFC-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