General Information of the Compound
| Compound ID |
CP0434852
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| Compound Name |
(2S,3R)-3-(tert-butoxy)-2-[(2-{[(2,4,6-trimethylphenyl)carbamoyl]amino}phenyl)formamido]butanoic acid
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| Structure |
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| Formula |
C25H33N3O5
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| Molecular Weight |
455.555
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| Canonical SMILES |
C[C@@H](OC(C)(C)C)[C@H](NC(=O)c1ccccc1NC(=O)Nc1c(C)cc(C)cc1C)C(O)=O
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| InChI |
InChI=1S/C25H33N3O5/c1-14-12-15(2)20(16(3)13-14)28-24(32)26-19-11-9-8-10-18(19)22(29)27-21(23(30)31)17(4)33-25(5,6)7/h8-13,17,21H,1-7H3,(H,27,29)(H,30,31)(H2,26,28,32)/t17-,21+/m1/s1
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| InChIKey |
SNLHFKDHLATTDE-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