General Information of the Compound
| Compound ID |
CP0539489
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| Compound Name |
1-(4-Methoxy-benzenesulfonyl)-3-((S)-1-methyl-pyrrolidin-2-ylmethyl)-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 |
COc1ccc(cc1)S(=O)(=O)n1cc(C[C@@H]2CCCN2C)c2ccccc12
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| InChI |
InChI=1S/C21H24N2O3S/c1-22-13-5-6-17(22)14-16-15-23(21-8-4-3-7-20(16)21)27(24,25)19-11-9-18(26-2)10-12-19/h3-4,7-12,15,17H,5-6,13-14H2,1-2H3/t17-/m0/s1
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| InChIKey |
IXXUMGONMOKOCS-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