General Information of the Compound
| Compound ID |
CP0385994
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| Compound Name |
(+/-)-1-(1-ethylpropyl)-4-(1-(4-fluorophenyl)-2-{4-[4-(2-methoxy-1-naphthyl)butyl]piperazin-1-yl}ethyl)piperazine
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| Structure |
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| Formula |
C36H51FN4O
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| Molecular Weight |
574.829
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| Canonical SMILES |
CCC(CC)N1CCN(CC1)C(CN1CCN(CCCCc2c(OC)ccc3ccccc23)CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C36H51FN4O/c1-4-32(5-2)40-24-26-41(27-25-40)35(30-13-16-31(37)17-14-30)28-39-22-20-38(21-23-39)19-9-8-12-34-33-11-7-6-10-29(33)15-18-36(34)42-3/h6-7,10-11,13-18,32,35H,4-5,8-9,12,19-28H2,1-3H3
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| InChIKey |
JUBYDLVPVPMMFB-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