General Information of the Compound
| Compound ID |
CP0483607
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| Compound Name |
2-[(2,6-dichlorophenyl)sulfonyl-[(3-phenoxyphenyl)methyl]amino]acetic acid
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| Structure |
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| Formula |
C21H17Cl2NO5S
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| Molecular Weight |
466.342
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| Canonical SMILES |
OC(=O)CN(Cc1cccc(Oc2ccccc2)c1)S(=O)(=O)c1c(Cl)cccc1Cl
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| InChI |
InChI=1S/C21H17Cl2NO5S/c22-18-10-5-11-19(23)21(18)30(27,28)24(14-20(25)26)13-15-6-4-9-17(12-15)29-16-7-2-1-3-8-16/h1-12H,13-14H2,(H,25,26)
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| InChIKey |
KIUHSZUJJPGEKV-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