General Information of the Compound
| Compound ID |
CP0868906
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| Compound Name |
2-(4-(3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)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 |
C21H23N9O2
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| Molecular Weight |
433.476
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| Canonical SMILES |
Cc1c(C(=O)N2CCCC(c3n[nH]c(C4CC4)n3)C2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C21H23N9O2/c1-12-15(10-22-30(12)21-24-19(31)16-5-3-9-29(16)27-21)20(32)28-8-2-4-14(11-28)18-23-17(25-26-18)13-6-7-13/h3,5,9-10,13-14H,2,4,6-8,11H2,1H3,(H,23,25,26)(H,24,27,31)
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| InChIKey |
XIMWCWRSJCYOOE-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