General Information of the Compound
| Compound ID |
CP0447087
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| Compound Name |
(S)-2-(4-chloro-2-((3-ethyl-4-(phenylsulfonyl)piperazin-1-yl)methyl)phenoxy)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 |
CC[C@H]1CN(Cc2cc(Cl)ccc2OCC(O)=O)CCN1S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C21H25ClN2O5S/c1-2-18-14-23(10-11-24(18)30(27,28)19-6-4-3-5-7-19)13-16-12-17(22)8-9-20(16)29-15-21(25)26/h3-9,12,18H,2,10-11,13-15H2,1H3,(H,25,26)/t18-/m0/s1
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| InChIKey |
RYDKHFBYSXPMIC-SFHVURJKSA-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