General Information of the Compound
| Compound ID |
CP0476420
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| Compound Name |
2-(2-chloro-4-methoxyphenyl)-3-cyclopropyl-7-methyl-5-pentan-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-one
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| Structure |
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| Formula |
C22H26ClN3O2
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| Molecular Weight |
399.922
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| Canonical SMILES |
CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3Cl)n(C3CC3)c(=O)c12
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| InChI |
InChI=1S/C22H26ClN3O2/c1-5-14(6-2)18-11-13(3)26-20(18)22(27)25(15-7-8-15)21(24-26)17-10-9-16(28-4)12-19(17)23/h9-12,14-15H,5-8H2,1-4H3
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| InChIKey |
GPJNGJZSILUNFL-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