General Information of the Compound
| Compound ID |
CP0399779
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| Compound Name |
3-(1-Benzyl-pyrrolidin-3-yl)-1-(3,4-dichloro-benzenesulfonyl)-1H-indole
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| Structure |
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| Formula |
C25H22Cl2N2O2S
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| Molecular Weight |
485.436
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| Canonical SMILES |
Clc1ccc(cc1Cl)S(=O)(=O)n1cc(C2CCN(Cc3ccccc3)C2)c2ccccc12
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| InChI |
InChI=1S/C25H22Cl2N2O2S/c26-23-11-10-20(14-24(23)27)32(30,31)29-17-22(21-8-4-5-9-25(21)29)19-12-13-28(16-19)15-18-6-2-1-3-7-18/h1-11,14,17,19H,12-13,15-16H2
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| InChIKey |
XDTDNGOPBLKLPK-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