General Information of the Compound
| Compound ID |
CP0399601
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| Compound Name |
2-Phenyl-1-thiophen-2-yl-1,2,3,4-tetrahydro-isoquinolin-6-ol
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| Structure |
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| Formula |
C19H17NOS
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| Molecular Weight |
307.418
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| Canonical SMILES |
Oc1ccc2C(N(CCc2c1)c1ccccc1)c1cccs1
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| InChI |
InChI=1S/C19H17NOS/c21-16-8-9-17-14(13-16)10-11-20(15-5-2-1-3-6-15)19(17)18-7-4-12-22-18/h1-9,12-13,19,21H,10-11H2
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| InChIKey |
OUBBDRUPHRMAJH-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