General Information of the Compound
| Compound ID |
CP0490467
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| Compound Name |
(+/-)-1-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-[4-(2-naphthyl)butyl]piperazine
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| Structure |
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| Formula |
C31H41FN4
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| Molecular Weight |
488.695
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| Canonical SMILES |
CN1CCN(CC1)C(CN1CCN(CCCCc2ccc3ccccc3c2)CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C31H41FN4/c1-33-16-22-36(23-17-33)31(28-11-13-30(32)14-12-28)25-35-20-18-34(19-21-35)15-5-4-6-26-9-10-27-7-2-3-8-29(27)24-26/h2-3,7-14,24,31H,4-6,15-23,25H2,1H3
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| InChIKey |
PIVDMSMJLUSDBT-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