General Information of the Compound
| Compound ID |
CP0541975
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| Compound Name |
(+/-)-1-(3-biphenyl-3-ylpropyl)-4-[2-(4-fluorophenyl)-2-(4-isopropylpiperazin-1-yl)ethyl]piperazine
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| Structure |
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| Formula |
C34H45FN4
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| Molecular Weight |
528.76
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| Canonical SMILES |
CC(C)N1CCN(CC1)C(CN1CCN(CCCc2cccc(c2)-c2ccccc2)CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C34H45FN4/c1-28(2)38-22-24-39(25-23-38)34(31-13-15-33(35)16-14-31)27-37-20-18-36(19-21-37)17-7-9-29-8-6-12-32(26-29)30-10-4-3-5-11-30/h3-6,8,10-16,26,28,34H,7,9,17-25,27H2,1-2H3
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| InChIKey |
PHGQDMRWYCPIEF-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