General Information of the Compound
| Compound ID |
CP0953986
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| Compound Name |
O-Benzyl-N-{[6-(2-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]carbonyl}tyrosine
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| Structure |
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| Formula |
C30H24FN3O4
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| Molecular Weight |
509.537
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| Canonical SMILES |
O=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1cn2cc(-c3ccccc3F)ccc2n1
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| InChI |
InChI=1S/C30H24FN3O4/c31-25-9-5-4-8-24(25)22-12-15-28-32-27(18-34(28)17-22)29(35)33-26(30(36)37)16-20-10-13-23(14-11-20)38-19-21-6-2-1-3-7-21/h1-15,17-18,26H,16,19H2,(H,33,35)(H,36,37)
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| InChIKey |
JPQFDICCRMPXMK-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