General Information of the Compound
| Compound ID |
CP0393082
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| Compound Name |
2-[6-(difluoromethoxy)-4-methylpyridin-3-yl]-3,7-dimethyl-5-pentan-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-one
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| Structure |
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| Formula |
C20H24F2N4O2
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| Molecular Weight |
390.434
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| Canonical SMILES |
CCC(CC)c1cc(C)n2nc(-c3cnc(OC(F)F)cc3C)n(C)c(=O)c12
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| InChI |
InChI=1S/C20H24F2N4O2/c1-6-13(7-2)14-9-12(4)26-17(14)19(27)25(5)18(24-26)15-10-23-16(8-11(15)3)28-20(21)22/h8-10,13,20H,6-7H2,1-5H3
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| InChIKey |
GWBAFTMETZIBIN-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
Protein ID: PT03947, Corticotropin-releasing factor receptor 1
Protein ID: PT01588, Corticotropin-releasing factor receptor 1