General Information of the Compound
| Compound ID |
CP0432349
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| Compound Name |
[3-(4-tert-butylphenyl)-2-[[4-(methanesulfonamido)phenyl]methylcarbamothioylamino]propyl] 2,2-dimethylpropanoate
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| Structure |
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| Formula |
C27H39N3O4S2
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| Molecular Weight |
533.76
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| Canonical SMILES |
CC(C)(C)C(=O)OCC(Cc1ccc(cc1)C(C)(C)C)NC(=S)NCc1ccc(NS(C)(=O)=O)cc1
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| InChI |
InChI=1S/C27H39N3O4S2/c1-26(2,3)21-12-8-19(9-13-21)16-23(18-34-24(31)27(4,5)6)29-25(35)28-17-20-10-14-22(15-11-20)30-36(7,32)33/h8-15,23,30H,16-18H2,1-7H3,(H2,28,29,35)
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| InChIKey |
FYYMPHFFTHWYQJ-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