General Information of the Compound
| Compound ID |
CP0491985
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| Compound Name |
5-Methoxy-3-{4-[4-(4-methoxy-3,5-dimethyl-phenyl)-piperazin-1-yl]-butyl}-1H-indole
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| Structure |
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| Formula |
C26H35N3O2
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| Molecular Weight |
421.585
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| Canonical SMILES |
COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3cc(C)c(OC)c(C)c3)c2c1
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| InChI |
InChI=1S/C26H35N3O2/c1-19-15-22(16-20(2)26(19)31-4)29-13-11-28(12-14-29)10-6-5-7-21-18-27-25-9-8-23(30-3)17-24(21)25/h8-9,15-18,27H,5-7,10-14H2,1-4H3
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| InChIKey |
WRIJSTMOEVEIIV-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