General Information of the Compound
| Compound ID |
CP0391394
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| Compound Name |
1-Cyclohexylmethyl-2-phenyl-1,2,3,4-tetrahydro-isoquinolin-6-ol
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| Structure |
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| Formula |
C22H27NO
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| Molecular Weight |
321.464
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| Canonical SMILES |
Oc1ccc2C(CC3CCCCC3)N(CCc2c1)c1ccccc1
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| InChI |
InChI=1S/C22H27NO/c24-20-11-12-21-18(16-20)13-14-23(19-9-5-2-6-10-19)22(21)15-17-7-3-1-4-8-17/h2,5-6,9-12,16-17,22,24H,1,3-4,7-8,13-15H2
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| InChIKey |
NLFJSBVJHWAUIS-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