General Information of the Compound
| Compound ID |
CP0568076
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| Compound Name |
[(1S,3S)-7-chloro-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
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| Structure |
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| Formula |
C17H18ClNO
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| Molecular Weight |
287.79
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| Canonical SMILES |
Cc1ccc(cc1)[C@@H]1N[C@H](CO)Cc2ccc(Cl)cc12
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| InChI |
InChI=1S/C17H18ClNO/c1-11-2-4-12(5-3-11)17-16-9-14(18)7-6-13(16)8-15(10-20)19-17/h2-7,9,15,17,19-20H,8,10H2,1H3/t15-,17-/m0/s1
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| InChIKey |
TVCQBJLUFMDDEH-RDJZCZTQSA-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