General Information of the Compound
| Compound ID |
CP0452151
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| Compound Name |
2-(2,4-dimethylphenyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[1,2-b]pyridazine
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| Structure |
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| Formula |
C22H28N2
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| Molecular Weight |
320.48
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| Canonical SMILES |
CCC(CC)c1cc(C)n2nc(c(C)cc12)-c1ccc(C)cc1C
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| InChI |
InChI=1S/C22H28N2/c1-7-18(8-2)20-13-17(6)24-21(20)12-16(5)22(23-24)19-10-9-14(3)11-15(19)4/h9-13,18H,7-8H2,1-6H3
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| InChIKey |
SEIYKFXOMGQXBH-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