General Information of the Compound
| Compound ID |
CP0494601
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| Compound Name |
3-[4-(4-Benzo[1,3]dioxol-5-yl-piperazin-1-yl)-butyl]-5-methoxy-1H-indole
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| Structure |
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| Formula |
C24H29N3O3
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| Molecular Weight |
407.514
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| Canonical SMILES |
COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCOc4c3)c2c1
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| InChI |
InChI=1S/C24H29N3O3/c1-28-20-6-7-22-21(15-20)18(16-25-22)4-2-3-9-26-10-12-27(13-11-26)19-5-8-23-24(14-19)30-17-29-23/h5-8,14-16,25H,2-4,9-13,17H2,1H3
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| InChIKey |
ZLYNSXAUXWPSCC-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