General Information of the Compound
Compound ID |
CP0065700
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Compound Name |
3-[4-[1-(benzenesulfonyl)indol-4-yl]piperazin-1-yl]-N-benzyl-N-methylpropan-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 |
CN(CCCN1CCN(CC1)c1cccc2n(ccc12)S(=O)(=O)c1ccccc1)Cc1ccccc1
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InChI |
InChI=1S/C29H34N4O2S/c1-30(24-25-10-4-2-5-11-25)17-9-18-31-20-22-32(23-21-31)28-14-8-15-29-27(28)16-19-33(29)36(34,35)26-12-6-3-7-13-26/h2-8,10-16,19H,9,17-18,20-24H2,1H3
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InChIKey |
JEAKDJTWKSAFQS-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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