General Information of the Compound
| Compound ID |
CP0920898
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| Compound Name |
2-Chloro-4-({1-[4-chloro-2-cyano-phenylsulfonyl]-3-hydroxyazetidine-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(OCC2(O)CN(S(=O)(=O)c3ccc(Cl)cc3C#N)C2)cc1Cl
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| InChI |
InChI=1S/C18H13Cl2N3O4S/c19-14-2-4-17(13(5-14)8-22)28(25,26)23-9-18(24,10-23)11-27-15-3-1-12(7-21)16(20)6-15/h1-6,24H,9-11H2
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| InChIKey |
NRPVVXKFQXJDIS-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