General Information of the Compound
| Compound ID |
CP0414332
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| Compound Name |
2-methyl-N-[4-[(2-phenylacetyl)amino]phenyl]sulfonyl-2-[4-[2-(4-phenyldiazenylphenoxy)ethyl]phenoxy]propanamide
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| Formula |
C38H36N4O6S
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| Molecular Weight |
676.795
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| Canonical SMILES |
CC(C)(Oc1ccc(CCOc2ccc(cc2)\N=N\c2ccccc2)cc1)C(=O)NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1
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| InChI |
InChI=1S/C38H36N4O6S/c1-38(2,37(44)42-49(45,46)35-23-17-30(18-24-35)39-36(43)27-29-9-5-3-6-10-29)48-34-19-13-28(14-20-34)25-26-47-33-21-15-32(16-22-33)41-40-31-11-7-4-8-12-31/h3-24H,25-27H2,1-2H3,(H,39,43)(H,42,44)/b41-40+
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| InChIKey |
WQDPCEMPRADPLT-CDJCAARLSA-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