General Information of the Compound
| Compound ID |
CP0953974
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| Compound Name |
8-bromo-N-cyclopropyl-3-(4-(2,5-dichlorobenzyl)piperazin-1-yl)quinoxalin-2-amine 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C24H23BrCl2F3N5O2
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| Molecular Weight |
621.285
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| Canonical SMILES |
Clc1ccc(Cl)c(CN2CCN(c3nc4cccc(Br)c4nc3NC3CC3)CC2)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C22H22BrCl2N5.C2HF3O2/c23-17-2-1-3-19-20(17)28-21(26-16-5-6-16)22(27-19)30-10-8-29(9-11-30)13-14-12-15(24)4-7-18(14)25;3-2(4,5)1(6)7/h1-4,7,12,16H,5-6,8-11,13H2,(H,26,28);(H,6,7)
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| InChIKey |
ZZSAMCFVDJDYGT-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