General Information of the Compound
| Compound ID |
CP0436409
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| Compound Name |
3-[(4-benzylpiperazin-1-yl)methyl]-1-(2-bromophenyl)sulfonylindole
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| Structure |
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| Formula |
C26H26BrN3O2S
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| Molecular Weight |
524.484
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| Canonical SMILES |
Brc1ccccc1S(=O)(=O)n1cc(CN2CCN(Cc3ccccc3)CC2)c2ccccc12
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| InChI |
InChI=1S/C26H26BrN3O2S/c27-24-11-5-7-13-26(24)33(31,32)30-20-22(23-10-4-6-12-25(23)30)19-29-16-14-28(15-17-29)18-21-8-2-1-3-9-21/h1-13,20H,14-19H2
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| InChIKey |
JKUNDUHVZRTWPO-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