General Information of the Compound
| Compound ID |
CP0539811
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| Compound Name |
N-[(3R)-1-[3-(4-fluoro-3-methoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide
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| Structure |
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| Formula |
C21H24FN5O2
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| Molecular Weight |
397.454
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| Canonical SMILES |
COc1cc(ccc1F)-c1c(C)nc2c(cc(C)nn12)N1CC[C@H](C1)NC(C)=O
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| InChI |
InChI=1S/C21H24FN5O2/c1-12-9-18(26-8-7-16(11-26)24-14(3)28)21-23-13(2)20(27(21)25-12)15-5-6-17(22)19(10-15)29-4/h5-6,9-10,16H,7-8,11H2,1-4H3,(H,24,28)/t16-/m1/s1
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| InChIKey |
AJIDOXRNLDGLOO-MRXNPFEDSA-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