General Information of the Compound
| Compound ID |
CP0455684
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| Compound Name |
1-[(4-tert-butylphenyl)methyl]-3-[[3-hydroxy-4-(methanesulfonamido)phenyl]methyl]thiourea
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| Structure |
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| Formula |
C20H27N3O3S2
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| Molecular Weight |
421.588
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| Canonical SMILES |
CC(C)(C)c1ccc(CNC(=S)NCc2ccc(NS(C)(=O)=O)c(O)c2)cc1
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| InChI |
InChI=1S/C20H27N3O3S2/c1-20(2,3)16-8-5-14(6-9-16)12-21-19(27)22-13-15-7-10-17(18(24)11-15)23-28(4,25)26/h5-11,23-24H,12-13H2,1-4H3,(H2,21,22,27)
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| InChIKey |
AYHDUPHUEYBLIM-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