General Information of the Compound
| Compound ID |
CP0905665
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| Compound Name |
3-(4-(2,5-dichlorobenzyl)piperazin-1-yl)-N-(pyridin-2-yl)quinoxalin-2-amine 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C26H23Cl2F3N6O2
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| Molecular Weight |
579.41
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| Canonical SMILES |
Clc1ccc(Cl)c(CN2CCN(c3nc4ccccc4nc3Nc3ccccn3)CC2)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C24H22Cl2N6.C2HF3O2/c25-18-8-9-19(26)17(15-18)16-31-11-13-32(14-12-31)24-23(30-22-7-3-4-10-27-22)28-20-5-1-2-6-21(20)29-24;3-2(4,5)1(6)7/h1-10,15H,11-14,16H2,(H,27,28,30);(H,6,7)
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| InChIKey |
UXJPHOMPMVOMDE-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