General Information of the Compound
| Compound ID |
CP0436098
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| Compound Name |
3-(1-Benzyl-pyrrolidin-3-yl)-1-(5-bromo-thiophene-2-sulfonyl)-1H-indole
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| Structure |
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| Formula |
C23H21BrN2O2S2
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| Molecular Weight |
501.471
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| Canonical SMILES |
Brc1ccc(s1)S(=O)(=O)n1cc(C2CCN(Cc3ccccc3)C2)c2ccccc12
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| InChI |
InChI=1S/C23H21BrN2O2S2/c24-22-10-11-23(29-22)30(27,28)26-16-20(19-8-4-5-9-21(19)26)18-12-13-25(15-18)14-17-6-2-1-3-7-17/h1-11,16,18H,12-15H2
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| InChIKey |
ZHYYDISGIDQJTN-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