General Information of the Compound
| Compound ID |
CP0874151
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| Compound Name |
3-(4-(3-chlorobenzyl)piperazin-1-yl)-N-cyclopropylquinoxalin-2-amine 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C24H25ClF3N5O2
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| Molecular Weight |
507.944
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| Canonical SMILES |
Clc1cccc(CN2CCN(c3nc4ccccc4nc3NC3CC3)CC2)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C22H24ClN5.C2HF3O2/c23-17-5-3-4-16(14-17)15-27-10-12-28(13-11-27)22-21(24-18-8-9-18)25-19-6-1-2-7-20(19)26-22;3-2(4,5)1(6)7/h1-7,14,18H,8-13,15H2,(H,24,25);(H,6,7)
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| InChIKey |
SEFWAMLWMMTRSR-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