General Information of the Compound
| Compound ID |
CP0420919
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| Compound Name |
[4-(4-tert-butylphenyl)-2-[[4-(methanesulfonamido)phenyl]methylcarbamothioylamino]butyl] 2,2-dimethylpropanoate
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| Structure |
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| Formula |
C28H41N3O4S2
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| Molecular Weight |
547.787
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| Canonical SMILES |
CC(C)(C)C(=O)OCC(CCc1ccc(cc1)C(C)(C)C)NC(=S)NCc1ccc(NS(C)(=O)=O)cc1
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| InChI |
InChI=1S/C28H41N3O4S2/c1-27(2,3)22-13-8-20(9-14-22)10-17-24(19-35-25(32)28(4,5)6)30-26(36)29-18-21-11-15-23(16-12-21)31-37(7,33)34/h8-9,11-16,24,31H,10,17-19H2,1-7H3,(H2,29,30,36)
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| InChIKey |
WRBQUDDKHSVEHD-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