General Information of the Compound
| Compound ID |
CP0967646
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| Compound Name |
O-Benzyl-N-{[6-(4-chlorophenyl)-8-methylimidazo[1,2-a]pyridin-2-yl]carbonyl}tyrosine
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| Structure |
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| Formula |
C31H26ClN3O4
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| Molecular Weight |
540.019
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| Canonical SMILES |
Cc1cc(-c2ccc(Cl)cc2)cn2cc(C(=O)NC(Cc3ccc(OCc4ccccc4)cc3)C(=O)O)nc12
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| InChI |
InChI=1S/C31H26ClN3O4/c1-20-15-24(23-9-11-25(32)12-10-23)17-35-18-28(33-29(20)35)30(36)34-27(31(37)38)16-21-7-13-26(14-8-21)39-19-22-5-3-2-4-6-22/h2-15,17-18,27H,16,19H2,1H3,(H,34,36)(H,37,38)
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| InChIKey |
PTCKWBHTDIXPNJ-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