General Information of the Compound
| Compound ID |
CP0485444
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| Compound Name |
3-((S)-1-Methyl-pyrrolidin-2-ylmethyl)-1-(toluene-4-sulfonyl)-1H-indole
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| Structure |
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| Formula |
C21H24N2O2S
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| Molecular Weight |
368.502
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| Canonical SMILES |
CN1CCC[C@H]1Cc1cn(c2ccccc12)S(=O)(=O)c1ccc(C)cc1
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| InChI |
InChI=1S/C21H24N2O2S/c1-16-9-11-19(12-10-16)26(24,25)23-15-17(14-18-6-5-13-22(18)2)20-7-3-4-8-21(20)23/h3-4,7-12,15,18H,5-6,13-14H2,1-2H3/t18-/m0/s1
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| InChIKey |
PZAWPDKWBFRVNN-SFHVURJKSA-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