General Information of the Compound
| Compound ID |
CP0497345
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| Compound Name |
3-{4-[4-(3,4-Dimethoxy-phenyl)-piperazin-1-yl]-butyl}-5-methoxy-1H-indole
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| Structure |
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| Formula |
C25H33N3O3
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| Molecular Weight |
423.557
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| Canonical SMILES |
COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(OC)c(OC)c3)c2c1
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| InChI |
InChI=1S/C25H33N3O3/c1-29-21-8-9-23-22(17-21)19(18-26-23)6-4-5-11-27-12-14-28(15-13-27)20-7-10-24(30-2)25(16-20)31-3/h7-10,16-18,26H,4-6,11-15H2,1-3H3
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| InChIKey |
RMQSZNRXFGKRBN-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