General Information of the Compound
| Compound ID |
CP0823462
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| Compound Name |
2-(5-methyl-4-(4-(1,1,1-trifluoro-3-methoxypropan-2-yl)piperidine-1-carbonyl)-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 |
C20H23F3N6O3
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| Molecular Weight |
452.437
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| Canonical SMILES |
COCC(C1CCN(C(=O)c2cnn(-c3nn4cccc4c(=O)[nH]3)c2C)CC1)C(F)(F)F
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| InChI |
InChI=1S/C20H23F3N6O3/c1-12-14(10-24-29(12)19-25-17(30)16-4-3-7-28(16)26-19)18(31)27-8-5-13(6-9-27)15(11-32-2)20(21,22)23/h3-4,7,10,13,15H,5-6,8-9,11H2,1-2H3,(H,25,26,30)
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| InChIKey |
BNKMAJNPAKLWPN-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