General Information of the Compound
| Compound ID |
CP0565367
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| Compound Name |
4-cyano-N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]benzenesulfonamide
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| Structure |
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| Formula |
C27H28N6O4S
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| Molecular Weight |
532.626
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| Canonical SMILES |
COc1ccc(cc1OC)-c1c(C)nc2c(cc(C)nn12)N1CC[C@H](C1)NS(=O)(=O)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C27H28N6O4S/c1-17-13-23(32-12-11-21(16-32)31-38(34,35)22-8-5-19(15-28)6-9-22)27-29-18(2)26(33(27)30-17)20-7-10-24(36-3)25(14-20)37-4/h5-10,13-14,21,31H,11-12,16H2,1-4H3/t21-/m1/s1
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| InChIKey |
GNQOTVAGSQFTNG-OAQYLSRUSA-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