General Information of the Compound
| Compound ID |
CP0521342
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| Compound Name |
(2S,3R)-3-(tert-butoxy)-2-{[4-(4-methoxyphenyl)-2-{[(2,4,6-trimethylphenyl)carbamoyl]amino}phenyl]formamido}butanoic acid
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| Structure |
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| Formula |
C32H39N3O6
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| Molecular Weight |
561.679
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| Canonical SMILES |
COc1ccc(cc1)-c1ccc(C(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(O)=O)c(NC(=O)Nc2c(C)cc(C)cc2C)c1
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| InChI |
InChI=1S/C32H39N3O6/c1-18-15-19(2)27(20(3)16-18)35-31(39)33-26-17-23(22-9-12-24(40-8)13-10-22)11-14-25(26)29(36)34-28(30(37)38)21(4)41-32(5,6)7/h9-17,21,28H,1-8H3,(H,34,36)(H,37,38)(H2,33,35,39)/t21-,28+/m1/s1
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| InChIKey |
ZYAQEXLNQYIHNU-PIKZIKFNSA-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