General Information of the Compound
| Compound ID |
CP0505345
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| Compound Name |
2-(4-(2,4-dimethylphenyl)piperazin-1-yl)-N-((3-(2-(trifluoromethyl)phenyl)isoxazol-5-yl)methyl)ethanamine
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| Structure |
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| Formula |
C25H29F3N4O
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| Molecular Weight |
458.528
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| Canonical SMILES |
Cc1ccc(N2CCN(CCNCc3cc(no3)-c3ccccc3C(F)(F)F)CC2)c(C)c1
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| InChI |
InChI=1S/C25H29F3N4O/c1-18-7-8-24(19(2)15-18)32-13-11-31(12-14-32)10-9-29-17-20-16-23(30-33-20)21-5-3-4-6-22(21)25(26,27)28/h3-8,15-16,29H,9-14,17H2,1-2H3
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| InChIKey |
SQEFMAJJBYCCFF-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