General Information of the Compound
| Compound ID |
CP0401326
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| Compound Name |
(2S,3R)-3-(tert-butoxy)-2-{[4-(3,4-difluorophenyl)-2-{[(2,6-dimethyl-4-propylphenyl)carbamoyl]amino}phenyl]formamido}butanoic acid
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| Structure |
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| Formula |
C33H39F2N3O5
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| Molecular Weight |
595.687
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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(F)c(F)c2)c(C)c1
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| InChI |
InChI=1S/C33H39F2N3O5/c1-8-9-21-14-18(2)28(19(3)15-21)38-32(42)36-27-17-23(22-11-13-25(34)26(35)16-22)10-12-24(27)30(39)37-29(31(40)41)20(4)43-33(5,6)7/h10-17,20,29H,8-9H2,1-7H3,(H,37,39)(H,40,41)(H2,36,38,42)/t20-,29+/m1/s1
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| InChIKey |
QVYCWEMVWQKRJH-OLILMLBXSA-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