General Information of the Compound
| Compound ID |
CP0306173
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| Compound Name |
6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazin-4-one
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| Structure |
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| Formula |
C25H25ClN4O3
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| Molecular Weight |
464.953
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| Canonical SMILES |
COc1cc(ccc1OCCN1CCCC1)-n1cnn2cc(cc2c1=O)-c1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H25ClN4O3/c1-32-24-15-21(8-9-23(24)33-13-12-28-10-2-3-11-28)29-17-27-30-16-19(14-22(30)25(29)31)18-4-6-20(26)7-5-18/h4-9,14-17H,2-3,10-13H2,1H3
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| InChIKey |
GGKAJWOMSFBRSA-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