General Information of the Compound
| Compound ID |
CP0413193
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| Compound Name |
4-tert-butyl-N-[2-methyl-3-[8-[4-(morpholine-4-carbonyl)anilino]imidazo[1,2-b]pyridazin-6-yl]phenyl]benzamide
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| Structure |
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| Formula |
C35H36N6O3
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| Molecular Weight |
588.712
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| Canonical SMILES |
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cc(Nc2ccc(cc2)C(=O)N2CCOCC2)c2nccn2n1
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| InChI |
InChI=1S/C35H36N6O3/c1-23-28(6-5-7-29(23)38-33(42)24-8-12-26(13-9-24)35(2,3)4)30-22-31(32-36-16-17-41(32)39-30)37-27-14-10-25(11-15-27)34(43)40-18-20-44-21-19-40/h5-17,22,37H,18-21H2,1-4H3,(H,38,42)
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| InChIKey |
KZGKYJCNGMYRGD-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