General Information of the Compound
| Compound ID |
CP0850736
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| Compound Name |
N-{[7-(4-Chlorophenyl)imidazo[1,2-a]pyridin-2-yl]carbonyl}-O-(4-methylbenzyl)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 |
Cc1ccc(COc2ccc(CC(NC(=O)c3cn4ccc(-c5ccc(Cl)cc5)cc4n3)C(=O)O)cc2)cc1
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| InChI |
InChI=1S/C31H26ClN3O4/c1-20-2-4-22(5-3-20)19-39-26-12-6-21(7-13-26)16-27(31(37)38)34-30(36)28-18-35-15-14-24(17-29(35)33-28)23-8-10-25(32)11-9-23/h2-15,17-18,27H,16,19H2,1H3,(H,34,36)(H,37,38)
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| InChIKey |
SUGCTLMGWFHNMX-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