General Information of the Compound
| Compound ID |
CP0491208
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| Compound Name |
1-(5-Bromo-2-hydroxybenzyl)-1-butyl-3-phenylthiourea
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| Structure |
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| Formula |
C18H21BrN2OS
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| Molecular Weight |
393.35
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| Canonical SMILES |
CCCCN(Cc1cccc(Br)c1O)C(=S)Nc1ccccc1
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| InChI |
InChI=1S/C18H21BrN2OS/c1-2-3-12-21(13-14-8-7-11-16(19)17(14)22)18(23)20-15-9-5-4-6-10-15/h4-11,22H,2-3,12-13H2,1H3,(H,20,23)
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| InChIKey |
CTCXKWWYXMCWMT-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