General Information of the Compound
| Compound ID |
CP0864621
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| Compound Name |
O-(4-Fluorobenzyl)-N-{[5-(4-propoxyphenyl)-1-benzothiophene-2-yl]carbonyl}tyrosine
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| Structure |
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| Formula |
C34H30FNO5S
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| Molecular Weight |
583.681
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| Canonical SMILES |
CCCOc1ccc(-c2ccc3sc(C(=O)NC(Cc4ccc(OCc5ccc(F)cc5)cc4)C(=O)O)cc3c2)cc1
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| InChI |
InChI=1S/C34H30FNO5S/c1-2-17-40-28-14-7-24(8-15-28)25-9-16-31-26(19-25)20-32(42-31)33(37)36-30(34(38)39)18-22-5-12-29(13-6-22)41-21-23-3-10-27(35)11-4-23/h3-16,19-20,30H,2,17-18,21H2,1H3,(H,36,37)(H,38,39)
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| InChIKey |
NIBWYSBCXFMCPD-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