General Information of the Compound
| Compound ID |
CP0539750
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| Compound Name |
1-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-phenylthiourea
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| Structure |
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| Formula |
C18H18N4O3S2
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| Molecular Weight |
402.501
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| Canonical SMILES |
Cc1noc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)c1C
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| InChI |
InChI=1S/C18H18N4O3S2/c1-12-13(2)21-25-17(12)22-27(23,24)16-10-8-15(9-11-16)20-18(26)19-14-6-4-3-5-7-14/h3-11,22H,1-2H3,(H2,19,20,26)
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| InChIKey |
YJUBNFOGPQENBZ-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