General Information of the Compound
| Compound ID |
CP0483458
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| Compound Name |
1-(3,4-Dimethoxy-benzenesulfonyl)-3-(S)-1-pyrrolidin-2-ylmethyl-1H-indole
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| Structure |
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| Formula |
C21H24N2O4S
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| Molecular Weight |
400.5
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| Canonical SMILES |
COc1ccc(cc1OC)S(=O)(=O)n1cc(C[C@@H]2CCCN2)c2ccccc12
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| InChI |
InChI=1S/C21H24N2O4S/c1-26-20-10-9-17(13-21(20)27-2)28(24,25)23-14-15(12-16-6-5-11-22-16)18-7-3-4-8-19(18)23/h3-4,7-10,13-14,16,22H,5-6,11-12H2,1-2H3/t16-/m0/s1
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| InChIKey |
QIPCHYUPKJYIJM-INIZCTEOSA-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