General Information of the Compound
| Compound ID |
CP0867858
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| Compound Name |
O-Benzyl-N-{[6-(benzylthio)imidazo[1,2-b]pyridazine-2-yl]carbonyl}tyrosine
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| Structure |
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| Formula |
C30H26N4O4S
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| Molecular Weight |
538.629
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| Canonical SMILES |
O=C(NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O)c1cn2nc(SCc3ccccc3)ccc2n1
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| InChI |
InChI=1S/C30H26N4O4S/c35-29(26-18-34-27(31-26)15-16-28(33-34)39-20-23-9-5-2-6-10-23)32-25(30(36)37)17-21-11-13-24(14-12-21)38-19-22-7-3-1-4-8-22/h1-16,18,25H,17,19-20H2,(H,32,35)(H,36,37)
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| InChIKey |
OZXCXDNEHYFUFQ-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