General Information of the Compound
| Compound ID |
CP0542284
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| Compound Name |
(+/-)-1-[4-(2-bromo-1-naphthyl)butyl]-4-[2-(4-fluorophenyl)-2-(4-isopropylpiperazin-1-yl)ethyl]piperazine
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| Structure |
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| Formula |
C33H44BrFN4
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| Molecular Weight |
595.645
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| Canonical SMILES |
CC(C)N1CCN(CC1)C(CN1CCN(CCCCc2c(Br)ccc3ccccc23)CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C33H44BrFN4/c1-26(2)38-21-23-39(24-22-38)33(28-10-13-29(35)14-11-28)25-37-19-17-36(18-20-37)16-6-5-9-31-30-8-4-3-7-27(30)12-15-32(31)34/h3-4,7-8,10-15,26,33H,5-6,9,16-25H2,1-2H3
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| InChIKey |
ULCBUFYAPVFUKG-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