General Information of the Compound
| Compound ID |
CP0947198
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| Compound Name |
2-(4-(6,6-difluoro-2-azaspiro[3.3]heptane-2-carbonyl)-1H-1,2,3-triazol-1-yl)pyrrolo[1,2-f][1,2,4]triazin-4(3H)-one
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| Structure |
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| Formula |
C15H13F2N7O2
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| Molecular Weight |
361.312
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| Canonical SMILES |
O=C(c1cn(-c2nn3cccc3c(=O)[nH]2)nn1)N1CC2(C1)CC(F)(F)C2
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| InChI |
InChI=1S/C15H13F2N7O2/c16-15(17)5-14(6-15)7-22(8-14)12(26)9-4-24(21-19-9)13-18-11(25)10-2-1-3-23(10)20-13/h1-4H,5-8H2,(H,18,20,25)
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| InChIKey |
OIALPWCJCSMRGK-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