General Information of the Compound
| Compound ID |
CP0761010
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| Compound Name |
2-(4-(3-(3,3-difluoropyrrolidin-1-yl)azetidine-1-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 |
C17H18F2N8O2
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| Molecular Weight |
404.381
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| Canonical SMILES |
Cc1c(C(=O)N2CC(N3CCC(F)(F)C3)C2)nnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C17H18F2N8O2/c1-10-13(15(29)25-7-11(8-25)24-6-4-17(18,19)9-24)21-23-27(10)16-20-14(28)12-3-2-5-26(12)22-16/h2-3,5,11H,4,6-9H2,1H3,(H,20,22,28)
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| InChIKey |
SWUPGRLNYBSUOG-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