General Information of the Compound
| Compound ID |
CP0553108
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| Compound Name |
1-[7-chloro-4,4-dimethyl-1-(1-pyridin-2-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-5-yl]ethanone
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| Formula |
C23H25ClN6O
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| Molecular Weight |
436.947
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| Canonical SMILES |
CC(=O)N1c2cc(Cl)ccc2-n2c(nnc2C1(C)C)C1CCN(CC1)c1ccccn1
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| InChI |
InChI=1S/C23H25ClN6O/c1-15(31)30-19-14-17(24)7-8-18(19)29-21(26-27-22(29)23(30,2)3)16-9-12-28(13-10-16)20-6-4-5-11-25-20/h4-8,11,14,16H,9-10,12-13H2,1-3H3
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| InChIKey |
FRRQGMZVLUYMNG-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