General Information of the Compound
| Compound ID |
CP0200183
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| Compound Name |
6-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-4-one
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| Structure |
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| Formula |
C20H16ClN3O3
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| Molecular Weight |
381.819
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| Canonical SMILES |
COc1ccc(cc1OC)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C20H16ClN3O3/c1-26-18-8-7-16(10-19(18)27-2)23-12-22-24-11-14(9-17(24)20(23)25)13-3-5-15(21)6-4-13/h3-12H,1-2H3
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| InChIKey |
IJWHKIFJJYGLFL-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