General Information of the Compound
| Compound ID |
CP0968732
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| Compound Name |
2-(4-(3-(3-fluorophenyl)-3,8-diazabicyclo[3.2.1]octane-8-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 |
C23H22FN7O2
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| Molecular Weight |
447.474
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| Canonical SMILES |
Cc1c(C(=O)N2C3CCC2CN(c2cccc(F)c2)C3)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C23H22FN7O2/c1-14-19(11-25-31(14)23-26-21(32)20-6-3-9-29(20)27-23)22(33)30-17-7-8-18(30)13-28(12-17)16-5-2-4-15(24)10-16/h2-6,9-11,17-18H,7-8,12-13H2,1H3,(H,26,27,32)
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| InChIKey |
BGIPEJAJIYLXKZ-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