General Information of the Compound
| Compound ID |
CP0483732
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| Compound Name |
3-(1-Benzyl-pyrrolidin-3-yl)-1-(toluene-4-sulfonyl)-1H-indole
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| Structure |
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| Formula |
C26H26N2O2S
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| Molecular Weight |
430.573
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)n1cc(C2CCN(Cc3ccccc3)C2)c2ccccc12
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| InChI |
InChI=1S/C26H26N2O2S/c1-20-11-13-23(14-12-20)31(29,30)28-19-25(24-9-5-6-10-26(24)28)22-15-16-27(18-22)17-21-7-3-2-4-8-21/h2-14,19,22H,15-18H2,1H3
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| InChIKey |
KADCFEDAPDSNRT-UHFFFAOYSA-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