General Information of the Compound
| Compound ID |
CP0529554
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| Compound Name |
(E)-N-[[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]carbamothioyl]-3-(2-methoxyphenyl)prop-2-enamide
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| Structure |
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| Formula |
C22H22N4O5S2
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| Molecular Weight |
486.575
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| Canonical SMILES |
COc1ccccc1\C=C\C(=O)NC(=S)Nc1ccc(cc1)S(=O)(=O)Nc1onc(C)c1C
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| InChI |
InChI=1S/C22H22N4O5S2/c1-14-15(2)25-31-21(14)26-33(28,29)18-11-9-17(10-12-18)23-22(32)24-20(27)13-8-16-6-4-5-7-19(16)30-3/h4-13,26H,1-3H3,(H2,23,24,27,32)/b13-8+
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| InChIKey |
RDGUVFADQBMQIR-MDWZMJQESA-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