General Information of the Compound
| Compound ID |
CP0451084
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| Compound Name |
N-[2-[4-(azetidin-1-ylsulfonyl)phenyl]ethyl]-5-chloro-2-methoxybenzamide
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| Structure |
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| Formula |
C19H21ClN2O4S
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| Molecular Weight |
408.907
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| Canonical SMILES |
COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)N1CCC1
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| InChI |
InChI=1S/C19H21ClN2O4S/c1-26-18-8-5-15(20)13-17(18)19(23)21-10-9-14-3-6-16(7-4-14)27(24,25)22-11-2-12-22/h3-8,13H,2,9-12H2,1H3,(H,21,23)
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| InChIKey |
HYKXUFBPEXNMOU-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