General Information of the Compound
| Compound ID |
CP0556639
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| Compound Name |
[(2S)-2-[[(1R)-1-[4-(methanesulfonamido)phenyl]ethyl]carbamothioylamino]-3-phenylpropyl] 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 |
C[C@@H](NC(=S)N[C@H](COC(=O)C(C)(C)C)Cc1ccccc1)c1ccc(NS(C)(=O)=O)cc1
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| InChI |
InChI=1S/C24H33N3O4S2/c1-17(19-11-13-20(14-12-19)27-33(5,29)30)25-23(32)26-21(15-18-9-7-6-8-10-18)16-31-22(28)24(2,3)4/h6-14,17,21,27H,15-16H2,1-5H3,(H2,25,26,32)/t17-,21+/m1/s1
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| InChIKey |
FLZIMWQQPVNOQB-UTKZUKDTSA-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