General Information of the Compound
| Compound ID |
CP0954819
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| Compound Name |
3-(4-(2,4-difluorobenzyl)piperidin-1-yl)-2-((2-methoxyethyl)amino)quinoxaline-6-carbonitrile
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| Structure |
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| Formula |
C24H25F2N5O
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| Molecular Weight |
437.494
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| Canonical SMILES |
COCCNc1nc2ccc(C#N)cc2nc1N1CCC(Cc2ccc(F)cc2F)CC1
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| InChI |
InChI=1S/C24H25F2N5O/c1-32-11-8-28-23-24(30-22-13-17(15-27)2-5-21(22)29-23)31-9-6-16(7-10-31)12-18-3-4-19(25)14-20(18)26/h2-5,13-14,16H,6-12H2,1H3,(H,28,29)
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| InChIKey |
HQQZXYVXXVWODM-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