General Information of the Compound
| Compound ID |
CP0734272
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| Compound Name |
2-(5-methyl-4-(7-(2,2,2-trifluoroethyl)-2,7-diazaspiro[3.5]nonane-2-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 |
C20H22F3N7O2
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| Molecular Weight |
449.437
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| Canonical SMILES |
Cc1c(C(=O)N2CC3(CCN(CC(F)(F)F)CC3)C2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C20H22F3N7O2/c1-13-14(9-24-30(13)18-25-16(31)15-3-2-6-29(15)26-18)17(32)28-10-19(11-28)4-7-27(8-5-19)12-20(21,22)23/h2-3,6,9H,4-5,7-8,10-12H2,1H3,(H,25,26,31)
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| InChIKey |
JDOBEUMYVYZSBL-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