General Information of the Compound
| Compound ID |
CP0399778
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| Compound Name |
1-(5-Chloro-thiophene-2-sulfonyl)-3-((S)-1-methyl-pyrrolidin-2-ylmethyl)-1H-indole
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| Structure |
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| Formula |
C18H19ClN2O2S2
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| Molecular Weight |
394.949
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| Canonical SMILES |
CN1CCC[C@H]1Cc1cn(c2ccccc12)S(=O)(=O)c1ccc(Cl)s1
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| InChI |
InChI=1S/C18H19ClN2O2S2/c1-20-10-4-5-14(20)11-13-12-21(16-7-3-2-6-15(13)16)25(22,23)18-9-8-17(19)24-18/h2-3,6-9,12,14H,4-5,10-11H2,1H3/t14-/m0/s1
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| InChIKey |
LAQSHBWWRPPHMF-AWEZNQCLSA-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