General Information of the Compound
| Compound ID |
CP0396409
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| Compound Name |
[(2S)-2-benzyl-3-[[4-(methanesulfonamido)phenyl]methylcarbamothioylamino]propyl] 2,2-dimethylpropanoate
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| Structure |
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| Formula |
C24H33N3O4S2
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| Molecular Weight |
491.679
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| Canonical SMILES |
CC(C)(C)C(=O)OC[C@H](CNC(=S)NCc1ccc(NS(C)(=O)=O)cc1)Cc1ccccc1
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| InChI |
InChI=1S/C24H33N3O4S2/c1-24(2,3)22(28)31-17-20(14-18-8-6-5-7-9-18)16-26-23(32)25-15-19-10-12-21(13-11-19)27-33(4,29)30/h5-13,20,27H,14-17H2,1-4H3,(H2,25,26,32)/t20-/m0/s1
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| InChIKey |
FNIOXOFORLIYQS-FQEVSTJZSA-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