General Information of the Compound
| Compound ID |
CP0308883
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| Compound Name |
3-N-[2-[4-(piperidin-1-ylmethyl)phenoxy]ethyl]quinoxaline-2,3-diamine
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| Structure |
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| Formula |
C22H27N5O
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| Molecular Weight |
377.492
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| Canonical SMILES |
Nc1nc2ccccc2nc1NCCOc1ccc(CN2CCCCC2)cc1
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| InChI |
InChI=1S/C22H27N5O/c23-21-22(26-20-7-3-2-6-19(20)25-21)24-12-15-28-18-10-8-17(9-11-18)16-27-13-4-1-5-14-27/h2-3,6-11H,1,4-5,12-16H2,(H2,23,25)(H,24,26)
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| InChIKey |
RYDVGAFXMZFSBM-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