General Information of the Compound
| Compound ID |
CP0957008
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| Compound Name |
3-(4-(2,5-dichlorobenzyl)piperazin-1-yl)-N-(2-isopropoxyethyl)quinoxalin-2-amine 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C26H30Cl2F3N5O3
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| Molecular Weight |
588.458
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| Canonical SMILES |
CC(C)OCCNc1nc2ccccc2nc1N1CCN(Cc2cc(Cl)ccc2Cl)CC1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C24H29Cl2N5O.C2HF3O2/c1-17(2)32-14-9-27-23-24(29-22-6-4-3-5-21(22)28-23)31-12-10-30(11-13-31)16-18-15-19(25)7-8-20(18)26;3-2(4,5)1(6)7/h3-8,15,17H,9-14,16H2,1-2H3,(H,27,28);(H,6,7)
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| InChIKey |
TVVLKGNXRNWLCS-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