General Information of the Compound
| Compound ID |
CP0956930
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| Compound Name |
2-Chloro-4-((1-((2-chloro-4-cyanophenyl)sulfonyl)-3-hydroxyazetidin-3-yl)methoxy)benzonitrile
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| Structure |
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| Formula |
C18H13Cl2N3O4S
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| Molecular Weight |
438.292
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| Canonical SMILES |
N#Cc1ccc(S(=O)(=O)N2CC(O)(COc3ccc(C#N)c(Cl)c3)C2)c(Cl)c1
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| InChI |
InChI=1S/C18H13Cl2N3O4S/c19-15-6-14(3-2-13(15)8-22)27-11-18(24)9-23(10-18)28(25,26)17-4-1-12(7-21)5-16(17)20/h1-6,24H,9-11H2
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| InChIKey |
VVYGHUBRSQVTBT-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