General Information of the Compound
| Compound ID |
CP0948273
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| Compound Name |
{4-[1-(2-Bromobenzenesulfonyl)-1H-indol-3-ylmethyl]piperazin-1-yl}phenylmethanone Hydrochloride
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| Structure |
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| Formula |
C26H25BrClN3O3S
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| Molecular Weight |
574.928
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| Canonical SMILES |
Cl.O=C(c1ccccc1)N1CCN(Cc2cn(S(=O)(=O)c3ccccc3Br)c3ccccc23)CC1
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| InChI |
InChI=1S/C26H24BrN3O3S.ClH/c27-23-11-5-7-13-25(23)34(32,33)30-19-21(22-10-4-6-12-24(22)30)18-28-14-16-29(17-15-28)26(31)20-8-2-1-3-9-20;/h1-13,19H,14-18H2;1H
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| InChIKey |
JHBVJTXODOPQIS-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