General Information of the Compound
| Compound ID |
CP0850738
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| Compound Name |
O-Benzyl-N-{[6-(phenylethynyl)imidazo[1,2-b]pyridazin-2-yl]carbonyl}tyrosine
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| Structure |
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| Formula |
C37H28N4O4
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| Molecular Weight |
592.655
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| Canonical SMILES |
O=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1cn2nc(-c3ccc(C#Cc4ccccc4)cc3)ccc2n1
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| InChI |
InChI=1S/C37H28N4O4/c42-36(39-33(37(43)44)23-28-15-19-31(20-16-28)45-25-29-9-5-2-6-10-29)34-24-41-35(38-34)22-21-32(40-41)30-17-13-27(14-18-30)12-11-26-7-3-1-4-8-26/h1-10,13-22,24,33H,23,25H2,(H,39,42)(H,43,44)
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| InChIKey |
IYVACQASUPDXJU-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