General Information of the Compound
| Compound ID |
CP0542282
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| Compound Name |
(+/-)-1-[3-(4'-tert-Butylbiphenyl-2-yl)propyl]-4-[2-(4-fluorophenyl)-2-(4-isopropylpiperazin-1-yl)ethyl]piperazine
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| Structure |
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| Formula |
C38H53FN4
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| Molecular Weight |
584.868
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| Canonical SMILES |
CC(C)N1CCN(CC1)C(CN1CCN(CCCc2ccccc2-c2ccc(cc2)C(C)(C)C)CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C38H53FN4/c1-30(2)42-25-27-43(28-26-42)37(33-14-18-35(39)19-15-33)29-41-23-21-40(22-24-41)20-8-10-31-9-6-7-11-36(31)32-12-16-34(17-13-32)38(3,4)5/h6-7,9,11-19,30,37H,8,10,20-29H2,1-5H3
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| InChIKey |
YJFGVOGMLJKANE-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