General Information of the Compound
| Compound ID |
CP0754202
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| Compound Name |
2-(5-methyl-4-(3-(5-(trifluoromethyl)pyridin-2-yl)-3,8-diazabicyclo[3.2.1]octane-8-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 |
C23H21F3N8O2
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| Molecular Weight |
498.469
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| Canonical SMILES |
Cc1c(C(=O)N2C3CCC2CN(c2ccc(C(F)(F)F)cn2)C3)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C23H21F3N8O2/c1-13-17(10-28-34(13)22-29-20(35)18-3-2-8-32(18)30-22)21(36)33-15-5-6-16(33)12-31(11-15)19-7-4-14(9-27-19)23(24,25)26/h2-4,7-10,15-16H,5-6,11-12H2,1H3,(H,29,30,35)
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| InChIKey |
BUWUUVHQMGWUFD-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