General Information of the Compound
| Compound ID |
CP0746927
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| Compound Name |
2-(4-(4-(azetidine-1-carbonyl)-4-(trifluoromethyl)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 |
C21H22F3N7O3
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| Molecular Weight |
477.447
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| Canonical SMILES |
Cc1c(C(=O)N2CCC(C(=O)N3CCC3)(C(F)(F)F)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C21H22F3N7O3/c1-13-14(12-25-31(13)19-26-16(32)15-4-2-9-30(15)27-19)17(33)28-10-5-20(6-11-28,21(22,23)24)18(34)29-7-3-8-29/h2,4,9,12H,3,5-8,10-11H2,1H3,(H,26,27,32)
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| InChIKey |
QQBQDTIYGCSMMP-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