General Information of the Compound
| Compound ID |
CP0867859
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| Compound Name |
O-Benzyl-N-({8-[(4-chlorobenzyl)oxy]imidazo[1,2-a]pyridin-2-yl}carbonyl)tyrosine
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| Structure |
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| Formula |
C31H26ClN3O5
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| Molecular Weight |
556.018
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| Canonical SMILES |
O=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1cn2cccc(OCc3ccc(Cl)cc3)c2n1
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| InChI |
InChI=1S/C31H26ClN3O5/c32-24-12-8-23(9-13-24)20-40-28-7-4-16-35-18-27(33-29(28)35)30(36)34-26(31(37)38)17-21-10-14-25(15-11-21)39-19-22-5-2-1-3-6-22/h1-16,18,26H,17,19-20H2,(H,34,36)(H,37,38)
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| InChIKey |
UXIGRFNDZSFJRK-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