General Information of the Compound
| Compound ID |
CP0424173
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| Compound Name |
(5-hydroxynaphthalen-1-yl) 2-methylbenzenesulfonate
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| Structure |
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| Formula |
C17H14O4S
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| Molecular Weight |
314.362
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| Canonical SMILES |
Cc1ccccc1S(=O)(=O)Oc1cccc2c(O)cccc12
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| InChI |
InChI=1S/C17H14O4S/c1-12-6-2-3-11-17(12)22(19,20)21-16-10-5-7-13-14(16)8-4-9-15(13)18/h2-11,18H,1H3
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| InChIKey |
INSFTSKYNQICLN-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
Protein ID: PT00886, Estrogen receptor
Protein ID: PT00889, Estrogen receptor beta