General Information of the Compound
| Compound ID |
CP0873877
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| Compound Name |
O-Benzyl-N-{[6-(4-chlorophenyl)-3-methyl-1-benzofuran-2-yl]carbonyl}-L-tyrosine
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| Structure |
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| Formula |
C32H26ClNO5
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| Molecular Weight |
540.015
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| Canonical SMILES |
Cc1c(C(=O)N[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)O)oc2cc(-c3ccc(Cl)cc3)ccc12
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| InChI |
InChI=1S/C32H26ClNO5/c1-20-27-16-11-24(23-9-12-25(33)13-10-23)18-29(27)39-30(20)31(35)34-28(32(36)37)17-21-7-14-26(15-8-21)38-19-22-5-3-2-4-6-22/h2-16,18,28H,17,19H2,1H3,(H,34,35)(H,36,37)/t28-/m0/s1
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| InChIKey |
ULUVAGMIDCDIJH-NDEPHWFRSA-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