General Information of the Compound
| Compound ID |
CP0405948
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| Compound Name |
1-Cyclohexyl-2-phenyl-1,2,3,4-tetrahydro-isoquinolin-6-ol
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| Structure |
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| Formula |
C21H25NO
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| Molecular Weight |
307.437
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| Canonical SMILES |
Oc1ccc2C(C3CCCCC3)N(CCc2c1)c1ccccc1
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| InChI |
InChI=1S/C21H25NO/c23-19-11-12-20-17(15-19)13-14-22(18-9-5-2-6-10-18)21(20)16-7-3-1-4-8-16/h2,5-6,9-12,15-16,21,23H,1,3-4,7-8,13-14H2
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| InChIKey |
WVQOWITXJGHARO-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