General Information of the Compound
| Compound ID |
CP0874149
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| Compound Name |
N-(cyclopropylmethyl)-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 |
C25H26Cl2F3N5O2
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| Molecular Weight |
556.416
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| Canonical SMILES |
Clc1ccc(Cl)c(CN2CCN(c3nc4ccccc4nc3NCC3CC3)CC2)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C23H25Cl2N5.C2HF3O2/c24-18-7-8-19(25)17(13-18)15-29-9-11-30(12-10-29)23-22(26-14-16-5-6-16)27-20-3-1-2-4-21(20)28-23;3-2(4,5)1(6)7/h1-4,7-8,13,16H,5-6,9-12,14-15H2,(H,26,27);(H,6,7)
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| InChIKey |
XUUGSPMVNDHHCK-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