General Information of the Compound
| Compound ID |
CP0480036
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| Compound Name |
7-chloro-4-methoxy-1-(1-pyridin-2-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
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| Formula |
C20H19ClN6O
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| Molecular Weight |
394.866
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| Canonical SMILES |
COc1nc2cc(Cl)ccc2n2c(nnc12)C1CCN(CC1)c1ccccn1
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| InChI |
InChI=1S/C20H19ClN6O/c1-28-20-19-25-24-18(27(19)16-6-5-14(21)12-15(16)23-20)13-7-10-26(11-8-13)17-4-2-3-9-22-17/h2-6,9,12-13H,7-8,10-11H2,1H3
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| InChIKey |
VZHWDGUIIBLMSE-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