General Information of the Compound
| Compound ID |
CP0442307
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| Compound Name |
5-Methoxy-3-{4-[4-(3,4,5-trimethoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole
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| Structure |
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| Formula |
C26H35N3O4
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| Molecular Weight |
453.583
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| Canonical SMILES |
COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3cc(OC)c(OC)c(OC)c3)c2c1
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| InChI |
InChI=1S/C26H35N3O4/c1-30-21-8-9-23-22(17-21)19(18-27-23)7-5-6-10-28-11-13-29(14-12-28)20-15-24(31-2)26(33-4)25(16-20)32-3/h8-9,15-18,27H,5-7,10-14H2,1-4H3
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| InChIKey |
CGBJTVRUDYBOKU-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