General Information of the Compound
| Compound ID |
CP0873874
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| Compound Name |
O-Benzyl-N-{[7-(4-chlorophenyl)-2H-thiochromene-3-yl]carbonyl}tyrosine
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| Structure |
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| Formula |
C32H26ClNO4S
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| Molecular Weight |
556.083
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| Canonical SMILES |
O=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)C1=Cc2ccc(-c3ccc(Cl)cc3)cc2SC1
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| InChI |
InChI=1S/C32H26ClNO4S/c33-27-12-10-23(11-13-27)24-8-9-25-17-26(20-39-30(25)18-24)31(35)34-29(32(36)37)16-21-6-14-28(15-7-21)38-19-22-4-2-1-3-5-22/h1-15,17-18,29H,16,19-20H2,(H,34,35)(H,36,37)
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| InChIKey |
RKVRVXSDGCEHBF-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