General Information of the Compound
| Compound ID |
CP0439054
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| Compound Name |
1-Butyl-1-(2-hydroxy-3,5-dimethylbenzyl)-3-phenylthiourea
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| Structure |
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| Formula |
C23H24N2OS
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| Molecular Weight |
376.525
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| Canonical SMILES |
Cc1cc(C)c(O)c(CN(Cc2ccccc2)C(=S)Nc2ccccc2)c1
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| InChI |
InChI=1S/C23H24N2OS/c1-17-13-18(2)22(26)20(14-17)16-25(15-19-9-5-3-6-10-19)23(27)24-21-11-7-4-8-12-21/h3-14,26H,15-16H2,1-2H3,(H,24,27)
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| InChIKey |
CLYYHKWHUJNBOP-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