General Information of the Compound
| Compound ID |
CP0508232
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| Compound Name |
N-[1-[2-(2,3-dichlorophenyl)sulfanylethyl]pyrrolidin-3-yl]-2-methylbenzamide
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| Structure |
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| Formula |
C20H22Cl2N2OS
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| Molecular Weight |
409.382
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| Canonical SMILES |
Cc1ccccc1C(=O)NC1CCN(CCSc2cccc(Cl)c2Cl)C1
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| InChI |
InChI=1S/C20H22Cl2N2OS/c1-14-5-2-3-6-16(14)20(25)23-15-9-10-24(13-15)11-12-26-18-8-4-7-17(21)19(18)22/h2-8,15H,9-13H2,1H3,(H,23,25)
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| InChIKey |
HNMBLRKSPJPQKY-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