General Information of the Compound
| Compound ID |
CP0955167
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| Compound Name |
2-(4-(3,3-difluoro-1,3'-bipyrrolidine-1'-carbonyl)-5-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 |
C19H21F2N7O2
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| Molecular Weight |
417.42
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| Canonical SMILES |
Cc1c(C(=O)N2CCC(N3CCC(F)(F)C3)C2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C19H21F2N7O2/c1-12-14(9-22-28(12)18-23-16(29)15-3-2-6-27(15)24-18)17(30)25-7-4-13(10-25)26-8-5-19(20,21)11-26/h2-3,6,9,13H,4-5,7-8,10-11H2,1H3,(H,23,24,29)
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| InChIKey |
VXEIRVSAUPLZCN-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