General Information of the Compound
| Compound ID |
CP0217089
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| Compound Name |
1-[(3,5-diiodophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
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| Structure |
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| Formula |
C16H15I2NO2
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| Molecular Weight |
507.109
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| Canonical SMILES |
Oc1cc2CCNC(Cc3cc(I)cc(I)c3)c2cc1O
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| InChI |
InChI=1S/C16H15I2NO2/c17-11-3-9(4-12(18)7-11)5-14-13-8-16(21)15(20)6-10(13)1-2-19-14/h3-4,6-8,14,19-21H,1-2,5H2
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| InChIKey |
PDQNCKWPRIQWGX-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: PT01179, Beta-1 adrenergic receptor
Protein ID: PT01494, Beta-2 adrenergic receptor