General Information of the Compound
| Compound ID |
CP0869104
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| Compound Name |
O-Benzyl-N-({6-[(E)-2-(4-chlorophenyl)ethenyl]imidazo[1,2-b]pyridazin-2-yl}carbonyl)tyrosine
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| Structure |
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| Formula |
C31H25ClN4O4
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| Molecular Weight |
553.018
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| Canonical SMILES |
O=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1cn2nc(/C=C/c3ccc(Cl)cc3)ccc2n1
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| InChI |
InChI=1S/C31H25ClN4O4/c32-24-11-6-21(7-12-24)8-13-25-14-17-29-33-28(19-36(29)35-25)30(37)34-27(31(38)39)18-22-9-15-26(16-10-22)40-20-23-4-2-1-3-5-23/h1-17,19,27H,18,20H2,(H,34,37)(H,38,39)/b13-8+
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| InChIKey |
CRFNZFBQPIZHDY-MDWZMJQESA-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