General Information of the Compound
| Compound ID |
CP0947146
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| Compound Name |
2-(5-methyl-4-(5-(trifluoromethyl)octahydrocyclopenta[c]pyrrole-2-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 |
C19H19F3N6O2
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| Molecular Weight |
420.395
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| Canonical SMILES |
Cc1c(C(=O)N2CC3CC(C(F)(F)F)CC3C2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C19H19F3N6O2/c1-10-14(7-23-28(10)18-24-16(29)15-3-2-4-27(15)25-18)17(30)26-8-11-5-13(19(20,21)22)6-12(11)9-26/h2-4,7,11-13H,5-6,8-9H2,1H3,(H,24,25,29)
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| InChIKey |
WXHSXUSIRQOVTK-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