General Information of the Compound
| Compound ID |
CP0509437
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| Compound Name |
(+/-)-1-methyl-4-{2-{4-[4-(1-naphthyl)butyl]piperazin-1-yl}-1-[4-(trifluoromethyl)phenyl]ethyl}piperazine
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| Structure |
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| Formula |
C32H41F3N4
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| Molecular Weight |
538.702
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| Canonical SMILES |
CN1CCN(CC1)C(CN1CCN(CCCCc2cccc3ccccc23)CC1)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C32H41F3N4/c1-36-17-23-39(24-18-36)31(28-12-14-29(15-13-28)32(33,34)35)25-38-21-19-37(20-22-38)16-5-4-8-27-10-6-9-26-7-2-3-11-30(26)27/h2-3,6-7,9-15,31H,4-5,8,16-25H2,1H3
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| InChIKey |
IHHDHTXBALMXOF-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