General Information of the Compound
| Compound ID |
CP0574388
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| Compound Name |
4-chloro-N-[(1R)-1-[6-[(dimethylamino)methyl]-1-ethylbenzimidazol-2-yl]ethyl]benzenesulfonamide
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| Structure |
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| Formula |
C20H25ClN4O2S
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| Molecular Weight |
420.966
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| Canonical SMILES |
CCn1c(nc2ccc(CN(C)C)cc12)[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C20H25ClN4O2S/c1-5-25-19-12-15(13-24(3)4)6-11-18(19)22-20(25)14(2)23-28(26,27)17-9-7-16(21)8-10-17/h6-12,14,23H,5,13H2,1-4H3/t14-/m1/s1
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| InChIKey |
RPHQHONTYLPFAB-CQSZACIVSA-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