General Information of the Compound
| Compound ID |
CP0967263
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| Compound Name |
N-{[7-(4-Chlorophenyl)imidazo[1,2-a]pyridin-2-yl]carbonyl}-O-(4-cyanobenzyl)tyrosine
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| Structure |
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| Formula |
C31H23ClN4O4
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| Molecular Weight |
551.002
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| Canonical SMILES |
N#Cc1ccc(COc2ccc(CC(NC(=O)c3cn4ccc(-c5ccc(Cl)cc5)cc4n3)C(=O)O)cc2)cc1
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| InChI |
InChI=1S/C31H23ClN4O4/c32-25-9-7-23(8-10-25)24-13-14-36-18-28(34-29(36)16-24)30(37)35-27(31(38)39)15-20-5-11-26(12-6-20)40-19-22-3-1-21(17-33)2-4-22/h1-14,16,18,27H,15,19H2,(H,35,37)(H,38,39)
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| InChIKey |
WHFLWTCNGKXBMR-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