General Information of the Compound
| Compound ID |
CP0388740
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| Compound Name |
2-(2-chloro-4-methoxyphenyl)-7-methyl-5-pentan-3-yl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
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| Structure |
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| Formula |
C19H22ClN3O2
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| Molecular Weight |
359.857
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| Canonical SMILES |
CCC(CC)c1cc(C)n2nc([nH]c(=O)c12)-c1ccc(OC)cc1Cl
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| InChI |
InChI=1S/C19H22ClN3O2/c1-5-12(6-2)15-9-11(3)23-17(15)19(24)21-18(22-23)14-8-7-13(25-4)10-16(14)20/h7-10,12H,5-6H2,1-4H3,(H,21,22,24)
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| InChIKey |
QINZFQFIEPBPIC-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