General Information of the Compound
| Compound ID |
CP0529898
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| Compound Name |
1-Benzenesulfonyl-5-methoxy-3-(2-pyrrolidin-1-yl-ethyl)-1H-indole
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| Structure |
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| Formula |
C21H24N2O3S
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| Molecular Weight |
384.501
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| Canonical SMILES |
COc1ccc2n(cc(CCN3CCCC3)c2c1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C21H24N2O3S/c1-26-18-9-10-21-20(15-18)17(11-14-22-12-5-6-13-22)16-23(21)27(24,25)19-7-3-2-4-8-19/h2-4,7-10,15-16H,5-6,11-14H2,1H3
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| InChIKey |
KLDDKHIDNOHJGC-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