General Information of the Compound
Compound ID |
CP0483856
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Compound Name |
5-[(4-hydroxyphenyl)methyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-ol
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Formula |
C18H20O2
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Molecular Weight |
268.356
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Canonical SMILES |
Oc1ccc(CC2CCCCc3cc(O)ccc23)cc1
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InChI |
InChI=1S/C18H20O2/c19-16-7-5-13(6-8-16)11-14-3-1-2-4-15-12-17(20)9-10-18(14)15/h5-10,12,14,19-20H,1-4,11H2
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InChIKey |
SHRKDGZAIJBRDN-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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