General Information of the Compound
| Compound ID |
CP0768979
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| Compound Name |
2-(4-(2-ethyl-2,7-diazaspiro[3.5]nonane-7-carbonyl)-5-methyl-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 |
C20H25N7O2
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| Molecular Weight |
395.467
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| Canonical SMILES |
CCN1CC2(CCN(C(=O)c3cnn(-c4nn5cccc5c(=O)[nH]4)c3C)CC2)C1
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| InChI |
InChI=1S/C20H25N7O2/c1-3-24-12-20(13-24)6-9-25(10-7-20)18(29)15-11-21-27(14(15)2)19-22-17(28)16-5-4-8-26(16)23-19/h4-5,8,11H,3,6-7,9-10,12-13H2,1-2H3,(H,22,23,28)
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| InChIKey |
WRHZNEVDSYLWSB-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