General Information of the Compound
| Compound ID |
CP0954419
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| Compound Name |
3-(cyclopropylamino)-2-(4-(2,5-dichlorobenzyl)piperazin-1-yl)quinoxaline-5-carbonitrile 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C25H23Cl2F3N6O2
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| Molecular Weight |
567.399
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| Canonical SMILES |
N#Cc1cccc2nc(N3CCN(Cc4cc(Cl)ccc4Cl)CC3)c(NC3CC3)nc12.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C23H22Cl2N6.C2HF3O2/c24-17-4-7-19(25)16(12-17)14-30-8-10-31(11-9-30)23-22(27-18-5-6-18)29-21-15(13-26)2-1-3-20(21)28-23;3-2(4,5)1(6)7/h1-4,7,12,18H,5-6,8-11,14H2,(H,27,29);(H,6,7)
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| InChIKey |
ZUCYRZUKIOAVMR-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