General Information of the Compound
| Compound ID |
CP0969577
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| Compound Name |
3-(4-(2,5-dichlorobenzyl)piperazin-1-yl)-2-(isopropylamino)quinoxaline-6-carbonitrile 2,2,2-trifluoroacetic acid salt
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| Structure |
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| Formula |
C25H25Cl2F3N6O2
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| Molecular Weight |
569.415
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| Canonical SMILES |
CC(C)Nc1nc2ccc(C#N)cc2nc1N1CCN(Cc2cc(Cl)ccc2Cl)CC1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C23H24Cl2N6.C2HF3O2/c1-15(2)27-22-23(29-21-11-16(13-26)3-6-20(21)28-22)31-9-7-30(8-10-31)14-17-12-18(24)4-5-19(17)25;3-2(4,5)1(6)7/h3-6,11-12,15H,7-10,14H2,1-2H3,(H,27,28);(H,6,7)
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| InChIKey |
NYCBTZYOORVKCG-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