General Information of the Compound
| Compound ID |
CP0134920
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| Compound Name |
2-phenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-1,2,3,4-tetrahydroisoquinolin-6-ol
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| Structure |
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| Formula |
C27H30N2O2
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| Molecular Weight |
414.549
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| Canonical SMILES |
Oc1ccc2C(N(CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1
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| InChI |
InChI=1S/C27H30N2O2/c30-24-10-13-26-22(20-24)14-17-29(23-6-2-1-3-7-23)27(26)21-8-11-25(12-9-21)31-19-18-28-15-4-5-16-28/h1-3,6-13,20,27,30H,4-5,14-19H2
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| InChIKey |
HMBSMLATJKWAHH-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