General Information of the Compound
| Compound ID |
CP0168119
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| Compound Name |
[(2S)-2-benzyl-3-[[(1R)-1-[4-(methanesulfonamido)phenyl]ethyl]carbamothioylamino]propyl] 2,2-dimethylpropanoate
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| Structure |
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| Formula |
C25H35N3O4S2
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| Molecular Weight |
505.706
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| Canonical SMILES |
C[C@@H](NC(=S)NC[C@@H](COC(=O)C(C)(C)C)Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1
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| InChI |
InChI=1S/C25H35N3O4S2/c1-18(21-11-13-22(14-12-21)28-34(5,30)31)27-24(33)26-16-20(15-19-9-7-6-8-10-19)17-32-23(29)25(2,3)4/h6-14,18,20,28H,15-17H2,1-5H3,(H2,26,27,33)/t18-,20+/m1/s1
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| InChIKey |
FUWADUJDKJZYPA-QUCCMNQESA-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