General Information of the Compound
| Compound ID |
CP0909331
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| Compound Name |
2-(4-(3-(4-chlorophenyl)-3-fluoro-8-azabicyclo[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 |
C24H22ClFN6O2
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| Molecular Weight |
480.931
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| Canonical SMILES |
Cc1c(C(=O)N2C3CCC2CC(F)(c2ccc(Cl)cc2)C3)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C24H22ClFN6O2/c1-14-19(13-27-32(14)23-28-21(33)20-3-2-10-30(20)29-23)22(34)31-17-8-9-18(31)12-24(26,11-17)15-4-6-16(25)7-5-15/h2-7,10,13,17-18H,8-9,11-12H2,1H3,(H,28,29,33)
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| InChIKey |
XGVMJPQCNYWMCI-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