General Information of the Compound
| Compound ID |
CP0525497
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| Compound Name |
(+/-)-1-[3-(4'-fluorobiphenyl-2-yl)propyl]-4-[2-(4-fluorophenyl)-2-(4-isopropylpiperazin-1-yl)ethyl]piperazine
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| Structure |
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| Formula |
C34H44F2N4
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| Molecular Weight |
546.75
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| Canonical SMILES |
CC(C)N1CCN(CC1)C(CN1CCN(CCCc2ccccc2-c2ccc(F)cc2)CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C34H44F2N4/c1-27(2)39-22-24-40(25-23-39)34(30-11-15-32(36)16-12-30)26-38-20-18-37(19-21-38)17-5-7-28-6-3-4-8-33(28)29-9-13-31(35)14-10-29/h3-4,6,8-16,27,34H,5,7,17-26H2,1-2H3
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| InChIKey |
VDJPVMKXBQABSL-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