General Information of the Compound
| Compound ID |
CP0878895
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| Compound Name |
3-(4-(2,5-dichlorobenzyl)piperazin-1-yl)-N-(tetrahydro-2H-pyran-4-yl)quinoxalin-2-amine 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C26H28Cl2F3N5O3
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| Molecular Weight |
586.442
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| Canonical SMILES |
Clc1ccc(Cl)c(CN2CCN(c3nc4ccccc4nc3NC3CCOCC3)CC2)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C24H27Cl2N5O.C2HF3O2/c25-18-5-6-20(26)17(15-18)16-30-9-11-31(12-10-30)24-23(27-19-7-13-32-14-8-19)28-21-3-1-2-4-22(21)29-24;3-2(4,5)1(6)7/h1-6,15,19H,7-14,16H2,(H,27,28);(H,6,7)
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| InChIKey |
LDKJQNRAQGSJQJ-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