General Information of the Compound
| Compound ID |
CP0445655
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| Compound Name |
[7-hydroxy-4-(4-hydroxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]-phenylmethanone
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| Structure |
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| Formula |
C22H19NO3
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| Molecular Weight |
345.398
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| Canonical SMILES |
Oc1ccc(cc1)C1CN(Cc2cc(O)ccc12)C(=O)c1ccccc1
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| InChI |
InChI=1S/C22H19NO3/c24-18-8-6-15(7-9-18)21-14-23(22(26)16-4-2-1-3-5-16)13-17-12-19(25)10-11-20(17)21/h1-12,21,24-25H,13-14H2
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| InChIKey |
TXMWYKYJRAYYNL-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