General Information of the Compound
| Compound ID |
CP0383527
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| Compound Name |
(+-)-1-[2-(3-bromophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-[4-(1-naphthyl)butyl]piperazine
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| Structure |
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| Formula |
C31H41BrN4
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| Molecular Weight |
549.601
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| Canonical SMILES |
CN1CCN(CC1)C(CN1CCN(CCCCc2cccc3ccccc23)CC1)c1cccc(Br)c1
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| InChI |
InChI=1S/C31H41BrN4/c1-33-16-22-36(23-17-33)31(28-12-7-13-29(32)24-28)25-35-20-18-34(19-21-35)15-5-4-9-27-11-6-10-26-8-2-3-14-30(26)27/h2-3,6-8,10-14,24,31H,4-5,9,15-23,25H2,1H3
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| InChIKey |
NTBLOUVNUSNVNG-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