General Information of the Compound
| Compound ID |
CP0521343
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| Compound Name |
(2S,3R)-3-(tert-butoxy)-2-{[4-(3,4-difluorophenyl)-2-{[(2,4,6-trimethylphenyl)carbamoyl]amino}phenyl]formamido}butanoic acid
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| Structure |
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| Formula |
C31H35F2N3O5
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| Molecular Weight |
567.633
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| Canonical SMILES |
C[C@@H](OC(C)(C)C)[C@H](NC(=O)c1ccc(cc1NC(=O)Nc1c(C)cc(C)cc1C)-c1ccc(F)c(F)c1)C(O)=O
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| InChI |
InChI=1S/C31H35F2N3O5/c1-16-12-17(2)26(18(3)13-16)36-30(40)34-25-15-21(20-9-11-23(32)24(33)14-20)8-10-22(25)28(37)35-27(29(38)39)19(4)41-31(5,6)7/h8-15,19,27H,1-7H3,(H,35,37)(H,38,39)(H2,34,36,40)/t19-,27+/m1/s1
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| InChIKey |
IVTWTRKNKDMKHF-WINIVTDRSA-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