General Information of the Compound
| Compound ID |
CP0429966
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| Compound Name |
1-(2-Hydroxy-5-methylbenzyl)-1-(4-hydroxybenzyl)-3-phenylthiourea
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| Structure |
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| Formula |
C22H22N2O2S
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| Molecular Weight |
378.497
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| Canonical SMILES |
Cc1cccc(CN(Cc2ccc(O)cc2)C(=S)Nc2ccccc2)c1O
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| InChI |
InChI=1S/C22H22N2O2S/c1-16-6-5-7-18(21(16)26)15-24(14-17-10-12-20(25)13-11-17)22(27)23-19-8-3-2-4-9-19/h2-13,25-26H,14-15H2,1H3,(H,23,27)
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| InChIKey |
LCGCEYCAQPJEBN-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