General Information of the Compound
| Compound ID |
CP0503269
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| Compound Name |
2-(2-((4-(benzylsulfonyl)-1,4-diazepan-1-yl)methyl)-4-chlorophenoxy)acetic acid
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| Structure |
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| Formula |
C21H25ClN2O5S
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| Molecular Weight |
452.96
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| Canonical SMILES |
OC(=O)COc1ccc(Cl)cc1CN1CCCN(CC1)S(=O)(=O)Cc1ccccc1
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| InChI |
InChI=1S/C21H25ClN2O5S/c22-19-7-8-20(29-15-21(25)26)18(13-19)14-23-9-4-10-24(12-11-23)30(27,28)16-17-5-2-1-3-6-17/h1-3,5-8,13H,4,9-12,14-16H2,(H,25,26)
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| InChIKey |
FSYMRBYJPOBPII-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