General Information of the Compound
| Compound ID |
CP0956833
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| Compound Name |
3-(4-(4-chloro-2-fluorophenoxy)piperidin-1-yl)-N-isopropylquinoxalin-2-amine hydrochloride
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| Structure |
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| Formula |
C22H25Cl2FN4O
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| Molecular Weight |
451.373
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| Canonical SMILES |
CC(C)Nc1nc2ccccc2nc1N1CCC(Oc2ccc(Cl)cc2F)CC1.Cl
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| InChI |
InChI=1S/C22H24ClFN4O.ClH/c1-14(2)25-21-22(27-19-6-4-3-5-18(19)26-21)28-11-9-16(10-12-28)29-20-8-7-15(23)13-17(20)24;/h3-8,13-14,16H,9-12H2,1-2H3,(H,25,26);1H
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| InChIKey |
BXKVDIZJEPAIQE-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