General Information of the Compound
| Compound ID |
CP0904293
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| Compound Name |
3-(4-(3-chlorobenzyl)piperazin-1-y1)-N-(p-tolyl)quinoxalin-2-amine 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C28H27ClF3N5O2
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| Molecular Weight |
558.004
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| Canonical SMILES |
Cc1ccc(Nc2nc3ccccc3nc2N2CCN(Cc3cccc(Cl)c3)CC2)cc1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C26H26ClN5.C2HF3O2/c1-19-9-11-22(12-10-19)28-25-26(30-24-8-3-2-7-23(24)29-25)32-15-13-31(14-16-32)18-20-5-4-6-21(27)17-20;3-2(4,5)1(6)7/h2-12,17H,13-16,18H2,1H3,(H,28,29);(H,6,7)
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| InChIKey |
FNJNJTMPLHJVDE-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