General Information of the Compound
| Compound ID |
CP0870073
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| Compound Name |
O-Benzyl-N-{[5-(4-chlorophenyl)-1-benzothiophene-2-yl]carbonyl}tyrosine
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| Structure |
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| Formula |
C31H24ClNO4S
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| Molecular Weight |
542.056
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| Canonical SMILES |
O=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1cc2cc(-c3ccc(Cl)cc3)ccc2s1
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| InChI |
InChI=1S/C31H24ClNO4S/c32-25-11-8-22(9-12-25)23-10-15-28-24(17-23)18-29(38-28)30(34)33-27(31(35)36)16-20-6-13-26(14-7-20)37-19-21-4-2-1-3-5-21/h1-15,17-18,27H,16,19H2,(H,33,34)(H,35,36)
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| InChIKey |
UCXBGBXPBKOZEO-UHFFFAOYSA-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