General Information of the Compound
| Compound ID |
CP0435885
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| Compound Name |
3-[(4-tert-butylphenyl)methyl]-1-[1-(3-fluoro-4-methanesulfonamidophenyl)ethyl]thiourea
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| Structure |
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| Formula |
C21H28FN3O2S2
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| Molecular Weight |
437.606
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| Canonical SMILES |
CC(NC(=S)NCc1ccc(cc1)C(C)(C)C)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C21H28FN3O2S2/c1-14(16-8-11-19(18(22)12-16)25-29(5,26)27)24-20(28)23-13-15-6-9-17(10-7-15)21(2,3)4/h6-12,14,25H,13H2,1-5H3,(H2,23,24,28)
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| InChIKey |
DEJBDWNJCXYNAW-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