General Information of the Compound
| Compound ID |
CP0943131
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| Compound Name |
2-(4-(4-(ethyl(methyl)amino)piperidine-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 |
C19H25N7O2
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| Molecular Weight |
383.456
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| Canonical SMILES |
CCN(C)C1CCN(C(=O)c2cnn(-c3nn4cccc4c(=O)[nH]3)c2C)CC1
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| InChI |
InChI=1S/C19H25N7O2/c1-4-23(3)14-7-10-24(11-8-14)18(28)15-12-20-26(13(15)2)19-21-17(27)16-6-5-9-25(16)22-19/h5-6,9,12,14H,4,7-8,10-11H2,1-3H3,(H,21,22,27)
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| InChIKey |
KXICIVAVFSPQKT-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