General Information of the Compound
| Compound ID |
CP0745158
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| Compound Name |
2-(5-methyl-4-(2-thia-6-azaspiro[3.3]heptane-6-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 |
C16H16N6O2S
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| Molecular Weight |
356.411
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| Canonical SMILES |
Cc1c(C(=O)N2CC3(CSC3)C2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C16H16N6O2S/c1-10-11(14(24)20-6-16(7-20)8-25-9-16)5-17-22(10)15-18-13(23)12-3-2-4-21(12)19-15/h2-5H,6-9H2,1H3,(H,18,19,23)
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| InChIKey |
SNBQEJMFLDIAIJ-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