General Information of the Compound
| Compound ID |
CP0570786
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| Compound Name |
N-[(3R)-1-[3-[3-(dimethylsulfamoyl)phenyl]-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide
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| Structure |
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| Formula |
C22H28N6O3S
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| Molecular Weight |
456.572
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| Canonical SMILES |
CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)nc2c(cc(C)nn12)N1CC[C@H](C1)NC(C)=O
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| InChI |
InChI=1S/C22H28N6O3S/c1-14-11-20(27-10-9-18(13-27)24-16(3)29)22-23-15(2)21(28(22)25-14)17-7-6-8-19(12-17)32(30,31)26(4)5/h6-8,11-12,18H,9-10,13H2,1-5H3,(H,24,29)/t18-/m1/s1
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| InChIKey |
LCMGJOQBONFCFR-GOSISDBHSA-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