General Information of the Compound
| Compound ID |
CP0490327
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| Compound Name |
1-(m-trifluorophenyl)piperazine, 5
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| Structure |
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| Formula |
C22H30F3N3O2
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| Molecular Weight |
425.495
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| Canonical SMILES |
CC1(C)CC(=O)N(CCCCN2CCN(CC2)c2cccc(c2)C(F)(F)F)C(=O)C1
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| InChI |
InChI=1S/C22H30F3N3O2/c1-21(2)15-19(29)28(20(30)16-21)9-4-3-8-26-10-12-27(13-11-26)18-7-5-6-17(14-18)22(23,24)25/h5-7,14H,3-4,8-13,15-16H2,1-2H3
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| InChIKey |
UDSHNEUEZSPXAV-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