General Information of the Compound
| Compound ID |
CP0952124
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| Compound Name |
N-{[7-(4-Chlorophenyl)imidazo[1,2-a]pyridin-2-yl]carbonyl}-O-(2-fluorobenzyl)tyrosine
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| Structure |
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| Formula |
C30H25ClFN3O4
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| Molecular Weight |
545.998
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| Canonical SMILES |
O=C(NC(Cc1ccc(OCc2ccccc2F)cc1)C(=O)O)C1=NC2C=C(c3ccc(Cl)cc3)C=CN2C1
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| InChI |
InChI=1S/C30H25ClFN3O4/c31-23-9-7-20(8-10-23)21-13-14-35-17-27(33-28(35)16-21)29(36)34-26(30(37)38)15-19-5-11-24(12-6-19)39-18-22-3-1-2-4-25(22)32/h1-14,16,26,28H,15,17-18H2,(H,34,36)(H,37,38)
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| InChIKey |
LNFRLPIVEQEBCG-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