General Information of the Compound
| Compound ID |
CP0233205
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| Compound Name |
4-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]-N-benzylbutan-1-amine
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| Structure |
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| Formula |
C29H34N4O2S
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| Molecular Weight |
502.684
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| Canonical SMILES |
O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCCNCc2ccccc2)CC1
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| InChI |
InChI=1S/C29H34N4O2S/c34-36(35,26-12-5-2-6-13-26)33-19-16-27-28(14-9-15-29(27)33)32-22-20-31(21-23-32)18-8-7-17-30-24-25-10-3-1-4-11-25/h1-6,9-16,19,30H,7-8,17-18,20-24H2
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| InChIKey |
NBBRVXGVAVZCJM-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