General Information of the Compound
| Compound ID |
CP0905671
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| Compound Name |
3-(4-(2,5-dichlorobenzyl)piperazin-1-yl)-N-(3-methoxypropyl)quinoxalin-2-amine
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| Structure |
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| Formula |
C23H27Cl2N5O
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| Molecular Weight |
460.409
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| Canonical SMILES |
COCCCNc1nc2ccccc2nc1N1CCN(Cc2cc(Cl)ccc2Cl)CC1
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| InChI |
InChI=1S/C23H27Cl2N5O/c1-31-14-4-9-26-22-23(28-21-6-3-2-5-20(21)27-22)30-12-10-29(11-13-30)16-17-15-18(24)7-8-19(17)25/h2-3,5-8,15H,4,9-14,16H2,1H3,(H,26,27)
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| InChIKey |
MLQCFXZOYASPKM-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