General Information of the Compound
| Compound ID |
CP0954260
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| Compound Name |
O-Benzyl-N-alpha-{[6-(4-chlorophenyl)imidazo[1,2-a]pyridin-2-yl]carbonyl}-N-(methylsulfonyl)tyrosinamide
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| Structure |
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| Formula |
C31H27ClN4O5S
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| Molecular Weight |
603.1
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| Canonical SMILES |
CS(=O)(=O)NC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1
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| InChI |
InChI=1S/C31H27ClN4O5S/c1-42(39,40)35-31(38)27(17-21-7-14-26(15-8-21)41-20-22-5-3-2-4-6-22)34-30(37)28-19-36-18-24(11-16-29(36)33-28)23-9-12-25(32)13-10-23/h2-16,18-19,27H,17,20H2,1H3,(H,34,37)(H,35,38)
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| InChIKey |
MWESQRARTGLRGI-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