General Information of the Compound
| Compound ID |
CP0502802
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| Compound Name |
1-(1-benzylpyrrolidin-3-yl)-3-(phenylsulfonyl)-1H-indole
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| Structure |
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| Formula |
C25H24N2O2S
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| Molecular Weight |
416.546
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| Canonical SMILES |
O=S(=O)(c1cn(C2CCN(Cc3ccccc3)C2)c2ccccc12)c1ccccc1
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| InChI |
InChI=1S/C25H24N2O2S/c28-30(29,22-11-5-2-6-12-22)25-19-27(24-14-8-7-13-23(24)25)21-15-16-26(18-21)17-20-9-3-1-4-10-20/h1-14,19,21H,15-18H2
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| InChIKey |
CKFOUPRHOQCFFM-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