General Information of the Compound
| Compound ID |
CP0891290
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| Compound Name |
2-(5-methyl-4-(9-(trifluoromethyl)-3-azabicyclo[3.3.1]nonane-3-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 |
C20H21F3N6O2
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| Molecular Weight |
434.422
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| Canonical SMILES |
Cc1c(C(=O)N2CC3CCCC(C2)C3C(F)(F)F)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C20H21F3N6O2/c1-11-14(8-24-29(11)19-25-17(30)15-6-3-7-28(15)26-19)18(31)27-9-12-4-2-5-13(10-27)16(12)20(21,22)23/h3,6-8,12-13,16H,2,4-5,9-10H2,1H3,(H,25,26,30)
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| InChIKey |
KRKSUCBPBQHZSQ-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