General Information of the Compound
| Compound ID |
CP0953988
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| Compound Name |
O-Benzyl-N-{[6-(4-chlorophenyl)imidazo[1,2-b]pyridazin-2-yl]carbonyl}tyrosine
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| Structure |
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| Formula |
C29H23ClN4O4
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| Molecular Weight |
526.98
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| Canonical SMILES |
O=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1cn2nc(-c3ccc(Cl)cc3)ccc2n1
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| InChI |
InChI=1S/C29H23ClN4O4/c30-22-10-8-21(9-11-22)24-14-15-27-31-26(17-34(27)33-24)28(35)32-25(29(36)37)16-19-6-12-23(13-7-19)38-18-20-4-2-1-3-5-20/h1-15,17,25H,16,18H2,(H,32,35)(H,36,37)
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| InChIKey |
OYMSSMFARJWZGA-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