General Information of the Compound
| Compound ID |
CP0853137
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| Compound Name |
N-{[5-(4-Chlorophenyl)-1-benzothiophene-2-yl]carbonyl}-O-(4-fluorobenzyl)tyrosine
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| Structure |
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| Formula |
C31H23ClFNO4S
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| Molecular Weight |
560.046
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| Canonical SMILES |
O=C(NC(Cc1ccc(OCc2ccc(F)cc2)cc1)C(=O)O)c1cc2cc(-c3ccc(Cl)cc3)ccc2s1
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| InChI |
InChI=1S/C31H23ClFNO4S/c32-24-8-5-21(6-9-24)22-7-14-28-23(16-22)17-29(39-28)30(35)34-27(31(36)37)15-19-3-12-26(13-4-19)38-18-20-1-10-25(33)11-2-20/h1-14,16-17,27H,15,18H2,(H,34,35)(H,36,37)
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| InChIKey |
YXFZZYOJUFDAKE-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