General Information of the Compound
| Compound ID |
CP0536481
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| Compound Name |
3-[4-(4-Benzo[1,3]dioxol-5-yl-piperazin-1-yl)-butyl]-1H-indole-5-carbonitrile
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| Structure |
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| Formula |
C24H26N4O2
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| Molecular Weight |
402.498
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| Canonical SMILES |
N#Cc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCOc4c3)c2c1
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| InChI |
InChI=1S/C24H26N4O2/c25-15-18-4-6-22-21(13-18)19(16-26-22)3-1-2-8-27-9-11-28(12-10-27)20-5-7-23-24(14-20)30-17-29-23/h4-7,13-14,16,26H,1-3,8-12,17H2
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| InChIKey |
XBNXSLUDGIRCOM-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