General Information of the Compound
| Compound ID |
CP0844724
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| Compound Name |
5-hydroxynaphthalen-1-yl 3-methylbenzoate
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| Structure |
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| Formula |
C18H14O3
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| Molecular Weight |
278.307
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| Canonical SMILES |
Cc1cccc(C(=O)Oc2cccc3c(O)cccc23)c1
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| InChI |
InChI=1S/C18H14O3/c1-12-5-2-6-13(11-12)18(20)21-17-10-4-7-14-15(17)8-3-9-16(14)19/h2-11,19H,1H3
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| InChIKey |
WNUUQNXDKTTWAN-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