General Information of the Compound
| Compound ID |
CP0490465
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| Compound Name |
(+/-)-1-[2-(4-fluorophenyl)-2-(4-isopropylpiperazin-1-yl)ethyl]-4-[3-(40-methylbiphenyl-2-yl)propyl]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(CCCc2ccccc2-c2ccc(C)cc2)CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C35H47FN4/c1-28(2)39-23-25-40(26-24-39)35(32-14-16-33(36)17-15-32)27-38-21-19-37(20-22-38)18-6-8-30-7-4-5-9-34(30)31-12-10-29(3)11-13-31/h4-5,7,9-17,28,35H,6,8,18-27H2,1-3H3
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| InChIKey |
UMURJMSMTSOEKN-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