General Information of the Compound
| Compound ID |
CP0874156
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| Compound Name |
3-(4-(3-chlorobenzyl)piperazin-1-yl)-N-(pyridin-3-yl)quinoxalin-2-amine 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C26H24ClF3N6O2
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| Molecular Weight |
544.965
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| Canonical SMILES |
Clc1cccc(CN2CCN(c3nc4ccccc4nc3Nc3cccnc3)CC2)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C24H23ClN6.C2HF3O2/c25-19-6-3-5-18(15-19)17-30-11-13-31(14-12-30)24-23(27-20-7-4-10-26-16-20)28-21-8-1-2-9-22(21)29-24;3-2(4,5)1(6)7/h1-10,15-16H,11-14,17H2,(H,27,28);(H,6,7)
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| InChIKey |
UAXOTQCLOOCZPF-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