General Information of the Compound
| Compound ID |
CP0967266
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| Compound Name |
N-{[6-(4-Chlorophenyl)imidazo[1,2-a]pyridin-2-yl]carbonyl}-O-(3-fluorobenzyl)tyrosine
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| Structure |
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| Formula |
C30H23ClFN3O4
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| Molecular Weight |
543.982
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| Canonical SMILES |
O=C(NC(Cc1ccc(OCc2cccc(F)c2)cc1)C(=O)O)c1cn2cc(-c3ccc(Cl)cc3)ccc2n1
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| InChI |
InChI=1S/C30H23ClFN3O4/c31-23-9-6-21(7-10-23)22-8-13-28-33-27(17-35(28)16-22)29(36)34-26(30(37)38)15-19-4-11-25(12-5-19)39-18-20-2-1-3-24(32)14-20/h1-14,16-17,26H,15,18H2,(H,34,36)(H,37,38)
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| InChIKey |
IQKKTWADEWOLLQ-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