General Information of the Compound
| Compound ID |
CP0947189
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| Compound Name |
2-(5-methyl-4-(2-azaspiro[3.4]octane-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 |
C18H20N6O2
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| Molecular Weight |
352.398
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| Canonical SMILES |
Cc1c(C(=O)N2CC3(CCCC3)C2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C18H20N6O2/c1-12-13(16(26)22-10-18(11-22)6-2-3-7-18)9-19-24(12)17-20-15(25)14-5-4-8-23(14)21-17/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H,20,21,25)
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| InChIKey |
UNEKZUDMDOSUMJ-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