General Information of the Compound
| Compound ID |
CP0399932
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| Compound Name |
(S)-2-(4-chloro-2-((3-methyl-4-(phenylsulfonyl)piperazin-1-yl)methyl)phenoxy)acetic acid
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| Structure |
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| Formula |
C20H23ClN2O5S
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| Molecular Weight |
438.933
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| Canonical SMILES |
C[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C20H23ClN2O5S/c1-15-12-22(9-10-23(15)29(26,27)18-5-3-2-4-6-18)13-16-11-17(21)7-8-19(16)28-14-20(24)25/h2-8,11,15H,9-10,12-14H2,1H3,(H,24,25)/t15-/m0/s1
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| InChIKey |
OVNWHOGUZJEKAS-HNNXBMFYSA-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