General Information of the Compound
| Compound ID |
CP0377413
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| Compound Name |
3-[(4-tert-butylphenyl)methyl]-1-[2-(3-fluoro-4-methanesulfonamidophenyl)propan-2-yl]thiourea
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| Structure |
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| Formula |
C22H30FN3O2S2
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| Molecular Weight |
451.633
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| Canonical SMILES |
CC(C)(C)c1ccc(CNC(=S)NC(C)(C)c2ccc(NS(C)(=O)=O)c(F)c2)cc1
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| InChI |
InChI=1S/C22H30FN3O2S2/c1-21(2,3)16-9-7-15(8-10-16)14-24-20(29)25-22(4,5)17-11-12-19(18(23)13-17)26-30(6,27)28/h7-13,26H,14H2,1-6H3,(H2,24,25,29)
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| InChIKey |
OEGSVMKQKOMMCK-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