General Information of the Compound
| Compound ID |
CP0051115
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| Compound Name |
2-(4-fluorophenyl)-1-methyl-1-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1,2,3,4-tetrahydroisoquinolin-6-ol
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| Structure |
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| Formula |
C29H33FN2O2
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| Molecular Weight |
460.593
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| Canonical SMILES |
CC1(N(CCc2cc(O)ccc12)c1ccc(F)cc1)c1ccc(OCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C29H33FN2O2/c1-29(23-5-12-27(13-6-23)34-20-19-31-16-3-2-4-17-31)28-14-11-26(33)21-22(28)15-18-32(29)25-9-7-24(30)8-10-25/h5-14,21,33H,2-4,15-20H2,1H3
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| InChIKey |
KRKKFOHLNPZSHV-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