General Information of the Compound
| Compound ID |
CP0905664
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| Compound Name |
3-(4-(2,5-dichlorobenzyl)piperazin-1-yl)-2-((3-oxocyclobutyl)amino)quinoxaline-6-carbonitrile 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C26H23Cl2F3N6O3
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| Molecular Weight |
595.409
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| Canonical SMILES |
N#Cc1ccc2nc(NC3CC(=O)C3)c(N3CCN(Cc4cc(Cl)ccc4Cl)CC3)nc2c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C24H22Cl2N6O.C2HF3O2/c25-17-2-3-20(26)16(10-17)14-31-5-7-32(8-6-31)24-23(28-18-11-19(33)12-18)29-21-4-1-15(13-27)9-22(21)30-24;3-2(4,5)1(6)7/h1-4,9-10,18H,5-8,11-12,14H2,(H,28,29);(H,6,7)
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| InChIKey |
MBGPCMYFXWWVNI-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