General Information of the Compound
| Compound ID |
CP0968252
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| Compound Name |
N-{[7-(4-Chlorophenyl)imidazo[1,2-a]pyridin-2-yl]carbonyl}-O-(4-ethylbenzyl)tyrosine
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| Structure |
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| Formula |
C32H28ClN3O4
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| Molecular Weight |
554.046
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| Canonical SMILES |
CCc1ccc(COc2ccc(CC(NC(=O)c3cn4ccc(-c5ccc(Cl)cc5)cc4n3)C(=O)O)cc2)cc1
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| InChI |
InChI=1S/C32H28ClN3O4/c1-2-21-3-5-23(6-4-21)20-40-27-13-7-22(8-14-27)17-28(32(38)39)35-31(37)29-19-36-16-15-25(18-30(36)34-29)24-9-11-26(33)12-10-24/h3-16,18-19,28H,2,17,20H2,1H3,(H,35,37)(H,38,39)
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| InChIKey |
CCPSTOJWBYICMD-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