General Information of the Compound
| Compound ID |
CP0159041
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| Compound Name |
6-(4-chlorophenyl)-3-[4-(2-cyclopropyl-2-hydroxyethoxy)-3-methoxyphenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
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| Structure |
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| Formula |
C24H22ClN3O4
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| Molecular Weight |
451.91
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| Canonical SMILES |
COc1cc(ccc1OCC(O)C1CC1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C24H22ClN3O4/c1-31-23-11-19(8-9-22(23)32-13-21(29)16-2-3-16)27-14-26-28-12-17(10-20(28)24(27)30)15-4-6-18(25)7-5-15/h4-12,14,16,21,29H,2-3,13H2,1H3
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| InChIKey |
HJNTUQUTZWHBEL-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