General Information of the Compound
| Compound ID |
CP0448729
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| Compound Name |
1-(4-tert-Butyl-benzyl)-3-(3-methanesulfonyl-benzyl)-thiourea
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| Structure |
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| Formula |
C20H26N2O2S2
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| Molecular Weight |
390.574
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| Canonical SMILES |
CC(C)(C)c1ccc(CNC(=S)NCc2cccc(c2)S(C)(=O)=O)cc1
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| InChI |
InChI=1S/C20H26N2O2S2/c1-20(2,3)17-10-8-15(9-11-17)13-21-19(25)22-14-16-6-5-7-18(12-16)26(4,23)24/h5-12H,13-14H2,1-4H3,(H2,21,22,25)
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| InChIKey |
BZMDOLKGNLTDCV-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