General Information of the Compound
| Compound ID |
CP0452153
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| Compound Name |
2-(4-methoxy-2-methylphenyl)-7-methyl-3-(2-methylpropyl)-5-pentan-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-one
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| Structure |
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| Formula |
C24H33N3O2
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| Molecular Weight |
395.547
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| Canonical SMILES |
CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3C)n(CC(C)C)c(=O)c12
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| InChI |
InChI=1S/C24H33N3O2/c1-8-18(9-2)21-13-17(6)27-22(21)24(28)26(14-15(3)4)23(25-27)20-11-10-19(29-7)12-16(20)5/h10-13,15,18H,8-9,14H2,1-7H3
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| InChIKey |
SNERWFASGXUKJS-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