General Information of the Compound
| Compound ID |
CP0446580
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| Compound Name |
1-[(1S,2S)-4,6-dichloro-1-(4-methylsulfonylphenoxy)-2,3-dihydro-1H-inden-2-yl]azetidin-3-ol
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| Structure |
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| Formula |
C19H19Cl2NO4S
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| Molecular Weight |
428.337
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| Canonical SMILES |
CS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N2CC(O)C2)cc1
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| InChI |
InChI=1S/C19H19Cl2NO4S/c1-27(24,25)14-4-2-13(3-5-14)26-19-16-6-11(20)7-17(21)15(16)8-18(19)22-9-12(23)10-22/h2-7,12,18-19,23H,8-10H2,1H3/t18-,19-/m0/s1
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| InChIKey |
XUDCDMCLLSZLIV-OALUTQOASA-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