General Information of the Compound
| Compound ID |
CP0457934
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| Compound Name |
1-Benzenesulfonyl-3-((S)-1-methyl-pyrrolidin-2-ylmethyl)-1H-indole; oxalic acid
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| Structure |
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| Formula |
C20H22N2O2S
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| Molecular Weight |
354.475
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| Canonical SMILES |
CN1CCC[C@H]1Cc1cn(c2ccccc12)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C20H22N2O2S/c1-21-13-7-8-17(21)14-16-15-22(20-12-6-5-11-19(16)20)25(23,24)18-9-3-2-4-10-18/h2-6,9-12,15,17H,7-8,13-14H2,1H3/t17-/m0/s1
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| InChIKey |
ARMHUQQMXHTFEW-KRWDZBQOSA-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