General Information of the Compound
| Compound ID |
CP0502979
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| Compound Name |
(+/-)-1-(4-biphenyl-2-ylbutyl)-4-[2-(4-fluorophenyl)-2-(4-isopropylpiperazin-1-yl)ethyl]piperazine
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| Structure |
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| Formula |
C35H47FN4
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| Molecular Weight |
542.787
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| Canonical SMILES |
CC(C)N1CCN(CC1)C(CN1CCN(CCCCc2ccccc2-c2ccccc2)CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C35H47FN4/c1-29(2)39-24-26-40(27-25-39)35(32-15-17-33(36)18-16-32)28-38-22-20-37(21-23-38)19-9-8-13-31-12-6-7-14-34(31)30-10-4-3-5-11-30/h3-7,10-12,14-18,29,35H,8-9,13,19-28H2,1-2H3
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| InChIKey |
MBWDVGJDHXOXCK-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