General Information of the Compound
| Compound ID |
CP0452534
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| Compound Name |
(2S,3R)-3-(tert-butoxy)-2-[(2-{[(2,6-dimethyl-4-propylphenyl)carbamoyl]amino}-4-(4-methoxyphenyl)phenyl)formamido]butanoic acid
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| Structure |
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| Formula |
C34H43N3O6
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| Molecular Weight |
589.733
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| Canonical SMILES |
CCCc1cc(C)c(NC(=O)Nc2cc(ccc2C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(O)=O)-c2ccc(OC)cc2)c(C)c1
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| InChI |
InChI=1S/C34H43N3O6/c1-9-10-23-17-20(2)29(21(3)18-23)37-33(41)35-28-19-25(24-11-14-26(42-8)15-12-24)13-16-27(28)31(38)36-30(32(39)40)22(4)43-34(5,6)7/h11-19,22,30H,9-10H2,1-8H3,(H,36,38)(H,39,40)(H2,35,37,41)/t22-,30+/m1/s1
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| InChIKey |
PFGYDXPDGSRGMN-RCRUUEGKSA-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