General Information of the Compound
| Compound ID |
CP0137980
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| Compound Name |
5-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]-N-benzyl-N-methylpentan-1-amine
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| Structure |
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| Formula |
C31H38N4O2S
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| Molecular Weight |
530.738
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| Canonical SMILES |
CN(CCCCCN1CCN(CC1)c1cccc2n(ccc12)S(=O)(=O)c1ccccc1)Cc1ccccc1
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| InChI |
InChI=1S/C31H38N4O2S/c1-32(26-27-12-5-2-6-13-27)19-9-4-10-20-33-22-24-34(25-23-33)30-16-11-17-31-29(30)18-21-35(31)38(36,37)28-14-7-3-8-15-28/h2-3,5-8,11-18,21H,4,9-10,19-20,22-26H2,1H3
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| InChIKey |
LRYIOSWYNHIQPO-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