General Information of the Compound
| Compound ID |
CP0543308
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| Compound Name |
[(1S,3S)-7-chloro-1-(3-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
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| Structure |
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| Formula |
C16H15ClFNO
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| Molecular Weight |
291.753
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| Canonical SMILES |
OC[C@@H]1Cc2ccc(Cl)cc2[C@@H](N1)c1cccc(F)c1
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| InChI |
InChI=1S/C16H15ClFNO/c17-12-5-4-10-7-14(9-20)19-16(15(10)8-12)11-2-1-3-13(18)6-11/h1-6,8,14,16,19-20H,7,9H2/t14-,16-/m0/s1
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| InChIKey |
HKPNVLQWPJGTBI-HOCLYGCPSA-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: PT05546, Transient receptor potential cation channel subfamily M member 4
Protein ID: PT06248, Transient receptor potential cation channel subfamily M member 5