General Information of the Compound
| Compound ID |
CP0867862
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| Compound Name |
O-Benzyl-N-{[6-(4-chlorophenyl)imidazo[1,2-a]pyridin-2-yl]carbonyl}-N-methyltyrosine
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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 |
CN(C(=O)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1)C(Cc1ccc(OCc2ccccc2)cc1)C(=O)O
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| InChI |
InChI=1S/C31H26ClN3O4/c1-34(28(31(37)38)17-21-7-14-26(15-8-21)39-20-22-5-3-2-4-6-22)30(36)27-19-35-18-24(11-16-29(35)33-27)23-9-12-25(32)13-10-23/h2-16,18-19,28H,17,20H2,1H3,(H,37,38)
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| InChIKey |
DUIKCIKEEZIOAG-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