General Information of the Compound
| Compound ID |
CP0525432
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| Compound Name |
N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]methanesulfonamide
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| Structure |
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| Formula |
C21H27N5O4S
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| Molecular Weight |
445.545
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| Canonical SMILES |
COc1ccc(cc1OC)-c1c(C)nc2c(cc(C)nn12)N1CC[C@H](C1)NS(C)(=O)=O
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| InChI |
InChI=1S/C21H27N5O4S/c1-13-10-17(25-9-8-16(12-25)24-31(5,27)28)21-22-14(2)20(26(21)23-13)15-6-7-18(29-3)19(11-15)30-4/h6-7,10-11,16,24H,8-9,12H2,1-5H3/t16-/m1/s1
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| InChIKey |
LKXLWJRLYRFVNW-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