General Information of the Compound
| Compound ID |
CP0393078
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| Compound Name |
3,7-dimethyl-2-(6-methyl-1,3-benzodioxol-5-yl)-5-pentan-3-ylpyrrolo[1,2-b]pyridazine
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| Structure |
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| Formula |
C22H26N2O2
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| Molecular Weight |
350.462
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| Canonical SMILES |
CCC(CC)c1cc(C)n2nc(c(C)cc12)-c1cc2OCOc2cc1C
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| InChI |
InChI=1S/C22H26N2O2/c1-6-16(7-2)18-10-15(5)24-19(18)8-14(4)22(23-24)17-11-21-20(9-13(17)3)25-12-26-21/h8-11,16H,6-7,12H2,1-5H3
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| InChIKey |
UBDBGSWWAIWABV-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