General Information of the Compound
| Compound ID |
CP0522607
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| Compound Name |
5-Ethoxy-3-{4-[4-(4-methoxy-phenyl)-piperazin-1-yl]-butyl}-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 |
CCOc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(OC)cc3)c2c1
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| InChI |
InChI=1S/C25H33N3O2/c1-3-30-23-11-12-25-24(18-23)20(19-26-25)6-4-5-13-27-14-16-28(17-15-27)21-7-9-22(29-2)10-8-21/h7-12,18-19,26H,3-6,13-17H2,1-2H3
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| InChIKey |
GPUAJZMBIFTLOG-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