General Information of the Compound
| Compound ID |
CP0525498
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| Compound Name |
(+/-)-1-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-[4-(1-naphthyl)butyl]piperazine
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| Structure |
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| Formula |
C32H44N4O
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| Molecular Weight |
500.731
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| Canonical SMILES |
COc1ccc(cc1)C(CN1CCN(CCCCc2cccc3ccccc23)CC1)N1CCN(C)CC1
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| InChI |
InChI=1S/C32H44N4O/c1-33-18-24-36(25-19-33)32(29-13-15-30(37-2)16-14-29)26-35-22-20-34(21-23-35)17-6-5-9-28-11-7-10-27-8-3-4-12-31(27)28/h3-4,7-8,10-16,32H,5-6,9,17-26H2,1-2H3
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| InChIKey |
HMQVCJIGWYHYGP-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