General Information of the Compound
| Compound ID |
CP0485096
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| Compound Name |
1-(3,4-Dimethoxy-benzenesulfonyl)-3-((S)-1-methyl-pyrrolidin-2-ylmethyl)-1H-indole
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| Structure |
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| Formula |
C22H26N2O4S
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| Molecular Weight |
414.527
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| Canonical SMILES |
COc1ccc(cc1OC)S(=O)(=O)n1cc(C[C@@H]2CCCN2C)c2ccccc12
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| InChI |
InChI=1S/C22H26N2O4S/c1-23-12-6-7-17(23)13-16-15-24(20-9-5-4-8-19(16)20)29(25,26)18-10-11-21(27-2)22(14-18)28-3/h4-5,8-11,14-15,17H,6-7,12-13H2,1-3H3/t17-/m0/s1
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| InChIKey |
JXWPDTWEQZUZDW-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