General Information of the Compound
| Compound ID |
CP0464985
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| Compound Name |
(+/-)-1-[2-(4-fluorophenyl)-2-(4-isopropylpiperazin-1-yl)ethyl]-4-[3-(1,1':4',1''-terphenyl-2-yl)propyl]piperazine
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| Structure |
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| Formula |
C40H49FN4
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| Molecular Weight |
604.858
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| Canonical SMILES |
CC(C)N1CCN(CC1)C(CN1CCN(CCCc2ccccc2-c2ccc(cc2)-c2ccccc2)CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C40H49FN4/c1-32(2)44-27-29-45(30-28-44)40(37-18-20-38(41)21-19-37)31-43-25-23-42(24-26-43)22-8-12-35-11-6-7-13-39(35)36-16-14-34(15-17-36)33-9-4-3-5-10-33/h3-7,9-11,13-21,32,40H,8,12,22-31H2,1-2H3
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| InChIKey |
TXJRKEBVJVHFRQ-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