General Information of the Compound
| Compound ID |
CP0418699
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| Compound Name |
7-chloro-4,4-dimethyl-1-(1-pyridin-2-ylpiperidin-4-yl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline
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| Formula |
C21H23ClN6
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| Molecular Weight |
394.91
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| Canonical SMILES |
CC1(C)Nc2cc(Cl)ccc2-n2c(nnc12)C1CCN(CC1)c1ccccn1
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| InChI |
InChI=1S/C21H23ClN6/c1-21(2)20-26-25-19(28(20)17-7-6-15(22)13-16(17)24-21)14-8-11-27(12-9-14)18-5-3-4-10-23-18/h3-7,10,13-14,24H,8-9,11-12H2,1-2H3
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| InChIKey |
SFNLASCIWOJWBT-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