General Information of the Compound
| Compound ID |
CP0469256
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| Compound Name |
1-[1-(4-hydroxyphenyl)propyl]-2,3-dihydro-1H-inden-5-ol
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| Formula |
C18H20O2
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| Molecular Weight |
268.356
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| Canonical SMILES |
CCC(C1CCc2cc(O)ccc12)c1ccc(O)cc1
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| InChI |
InChI=1S/C18H20O2/c1-2-16(12-3-6-14(19)7-4-12)18-9-5-13-11-15(20)8-10-17(13)18/h3-4,6-8,10-11,16,18-20H,2,5,9H2,1H3
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| InChIKey |
RDWPUJQGVVMQEU-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