General Information of the Compound
| Compound ID |
CP0565200
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| Compound Name |
1-[(1S,2S)-6-chloro-4-fluoro-1-(4-methylsulfonylphenoxy)-2,3-dihydro-1H-inden-2-yl]pyrrolidine
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| Structure |
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| Formula |
C20H21ClFNO3S
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| Molecular Weight |
409.91
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| Canonical SMILES |
CS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3c2cc(Cl)cc3F)N2CCCC2)cc1
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| InChI |
InChI=1S/C20H21ClFNO3S/c1-27(24,25)15-6-4-14(5-7-15)26-20-17-10-13(21)11-18(22)16(17)12-19(20)23-8-2-3-9-23/h4-7,10-11,19-20H,2-3,8-9,12H2,1H3/t19-,20-/m0/s1
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| InChIKey |
OJFZWWTXZDESSH-PMACEKPBSA-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