General Information of the Compound
| Compound ID |
CP0329454
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| Compound Name |
4-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]-N-benzyl-N-methylbutan-1-amine
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| Structure |
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| Formula |
C30H36N4O2S
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| Molecular Weight |
516.711
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| Canonical SMILES |
CN(CCCCN1CCN(CC1)c1cccc2n(ccc12)S(=O)(=O)c1ccccc1)Cc1ccccc1
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| InChI |
InChI=1S/C30H36N4O2S/c1-31(25-26-11-4-2-5-12-26)18-8-9-19-32-21-23-33(24-22-32)29-15-10-16-30-28(29)17-20-34(30)37(35,36)27-13-6-3-7-14-27/h2-7,10-17,20H,8-9,18-19,21-25H2,1H3
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| InChIKey |
AFWXZBBWSCOFSI-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