General Information of the Compound
| Compound ID |
CP0520441
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| Compound Name |
(+/-)-1-[2-(4-fluorophenyl)-2-(4-isopropylpiperazin-1-yl)ethyl]-4-[4-(1-naphthyl)butyl]piperazine
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| Structure |
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| Formula |
C33H45FN4
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| Molecular Weight |
516.749
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| Canonical SMILES |
CC(C)N1CCN(CC1)C(CN1CCN(CCCCc2cccc3ccccc23)CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C33H45FN4/c1-27(2)37-22-24-38(25-23-37)33(30-13-15-31(34)16-14-30)26-36-20-18-35(19-21-36)17-6-5-9-29-11-7-10-28-8-3-4-12-32(28)29/h3-4,7-8,10-16,27,33H,5-6,9,17-26H2,1-2H3
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| InChIKey |
UESNQFLPADGGQE-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