General Information of the Compound
| Compound ID |
CP0966425
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| Compound Name |
2-(5-methyl-4-(1-oxo-8-azaspiro[4.5]decane-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 |
C20H22N6O3
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| Molecular Weight |
394.435
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| Canonical SMILES |
Cc1c(C(=O)N2CCC3(CCCC3=O)CC2)cnn1-c1nn2cccc2c(=O)[nH]1
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| InChI |
InChI=1S/C20H22N6O3/c1-13-14(18(29)24-10-7-20(8-11-24)6-2-5-16(20)27)12-21-26(13)19-22-17(28)15-4-3-9-25(15)23-19/h3-4,9,12H,2,5-8,10-11H2,1H3,(H,22,23,28)
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| InChIKey |
SJNWLCRHZMHIDN-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