General Information of the Compound
| Compound ID |
CP0573926
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| Compound Name |
(3R)-1-[(1S,2S)-4,6-dichloro-1-(4-methylsulfonylphenoxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
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| Structure |
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| Formula |
C20H21Cl2NO4S
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| Molecular Weight |
442.364
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| Canonical SMILES |
CS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3Cl)N2CC[C@@H](O)C2)cc1
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| InChI |
InChI=1S/C20H21Cl2NO4S/c1-28(25,26)15-4-2-14(3-5-15)27-20-17-8-12(21)9-18(22)16(17)10-19(20)23-7-6-13(24)11-23/h2-5,8-9,13,19-20,24H,6-7,10-11H2,1H3/t13-,19+,20+/m1/s1
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| InChIKey |
XZAVYLHZRRXARE-CWVNLOTRSA-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