General Information of the Compound
| Compound ID |
CP0874148
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| Compound Name |
N-cyclopropyl-3-(4-(2,5-dichlorobenzyl)piperazin-1-yl)-7-methoxyquinoxalin-2-amine 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C25H26Cl2F3N5O3
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| Molecular Weight |
572.415
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| Canonical SMILES |
COc1ccc2nc(N3CCN(Cc4cc(Cl)ccc4Cl)CC3)c(NC3CC3)nc2c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C23H25Cl2N5O.C2HF3O2/c1-31-18-5-7-20-21(13-18)27-22(26-17-3-4-17)23(28-20)30-10-8-29(9-11-30)14-15-12-16(24)2-6-19(15)25;3-2(4,5)1(6)7/h2,5-7,12-13,17H,3-4,8-11,14H2,1H3,(H,26,27);(H,6,7)
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| InChIKey |
VVXJQGGGAGFDPL-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