General Information of the Compound
| Compound ID |
CP0399725
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| Compound Name |
1-(2-bromo-4-hydroxy-5-methoxybenzyl)-3-(4-tert-butylbenzyl)thiourea
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| Structure |
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| Formula |
C20H25BrN2O2S
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| Molecular Weight |
437.403
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| Canonical SMILES |
COc1cc(CNC(=S)NCc2ccc(cc2)C(C)(C)C)c(Br)cc1O
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| InChI |
InChI=1S/C20H25BrN2O2S/c1-20(2,3)15-7-5-13(6-8-15)11-22-19(26)23-12-14-9-18(25-4)17(24)10-16(14)21/h5-10,24H,11-12H2,1-4H3,(H2,22,23,26)
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| InChIKey |
MBYKQGZGQVBHMQ-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