General Information of the Compound
| Compound ID |
CP0951357
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| Compound Name |
2-(4-(3-(3,3-difluoropyrrolidin-1-yl)azetidine-1-carbonyl)-3-methyl-1H-pyrazol-1-yl)pyrrolo[1,2-f][1,2,4]triazin-4(3H)-one
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| Structure |
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| Formula |
C18H19F2N7O2
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| Molecular Weight |
403.393
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| Canonical SMILES |
Cc1nn(-c2nn3cccc3c(=O)[nH]2)cc1C(=O)N1CC(N2CCC(F)(F)C2)C1
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| InChI |
InChI=1S/C18H19F2N7O2/c1-11-13(16(29)25-7-12(8-25)24-6-4-18(19,20)10-24)9-27(22-11)17-21-15(28)14-3-2-5-26(14)23-17/h2-3,5,9,12H,4,6-8,10H2,1H3,(H,21,23,28)
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| InChIKey |
SUONMQIMZTZBCN-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