General Information of the Compound
| Compound ID |
CP0378463
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| Compound Name |
(2R)-2-benzyl-3-[(2R)-2-(3-fluoro-4-methanesulfonamidophenyl)propanamido]propyl 2,2-dimethylpropanoate
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| Structure |
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| Formula |
C25H33FN2O5S
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| Molecular Weight |
492.613
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| Canonical SMILES |
C[C@@H](C(=O)NC[C@H](COC(=O)C(C)(C)C)Cc1ccccc1)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C25H33FN2O5S/c1-17(20-11-12-22(21(26)14-20)28-34(5,31)32)23(29)27-15-19(13-18-9-7-6-8-10-18)16-33-24(30)25(2,3)4/h6-12,14,17,19,28H,13,15-16H2,1-5H3,(H,27,29)/t17-,19-/m1/s1
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| InChIKey |
LJHJNIOBCLQUIS-IEBWSBKVSA-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