General Information of the Compound
| Compound ID |
CP0947251
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| Compound Name |
2-(4-(1-(5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl)-6-azaspiro[2.5]octane-6-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 |
C26H23FN8O3
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| Molecular Weight |
514.521
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| Canonical SMILES |
Cc1c(C(=O)N2CCC3(CC2)CC3c2nnc(-c3cccc(F)c3)o2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C26H23FN8O3/c1-15-18(14-28-35(15)25-29-21(36)20-6-3-9-34(20)32-25)24(37)33-10-7-26(8-11-33)13-19(26)23-31-30-22(38-23)16-4-2-5-17(27)12-16/h2-6,9,12,14,19H,7-8,10-11,13H2,1H3,(H,29,32,36)
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| InChIKey |
SKZGEOGGKUJIKS-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