General Information of the Compound
| Compound ID |
CP0838153
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| Compound Name |
2-(4-(6,6-difluoro-2-azaspiro[3.3]heptane-2-carbonyl)-5-methyl-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 |
C16H15F2N7O2
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| Molecular Weight |
375.339
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| Canonical SMILES |
Cc1c(C(=O)N2CC3(C2)CC(F)(F)C3)nnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C16H15F2N7O2/c1-9-11(13(27)23-7-15(8-23)5-16(17,18)6-15)20-22-25(9)14-19-12(26)10-3-2-4-24(10)21-14/h2-4H,5-8H2,1H3,(H,19,21,26)
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| InChIKey |
ALLGHPNHKRGCFZ-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