General Information of the Compound
| Compound ID |
CP0485704
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| Compound Name |
3-{4-[4-(4-Ethoxy-phenyl)-piperazin-1-yl]-butyl}-5-methoxy-1H-indole
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| Structure |
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| Formula |
C25H33N3O2
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| Molecular Weight |
407.558
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| Canonical SMILES |
CCOc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(OC)cc23)CC1
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| InChI |
InChI=1S/C25H33N3O2/c1-3-30-22-9-7-21(8-10-22)28-16-14-27(15-17-28)13-5-4-6-20-19-26-25-12-11-23(29-2)18-24(20)25/h7-12,18-19,26H,3-6,13-17H2,1-2H3
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| InChIKey |
PBXLRHIKMFGPMT-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