General Information of the Compound
| Compound ID |
CP0568072
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| Compound Name |
[(1S,3S)-7-chloro-2-methyl-1-phenyl-3,4-dihydro-1H-isoquinolin-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 |
CN1[C@H](CO)Cc2ccc(Cl)cc2[C@@H]1c1ccccc1
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| InChI |
InChI=1S/C17H18ClNO/c1-19-15(11-20)9-13-7-8-14(18)10-16(13)17(19)12-5-3-2-4-6-12/h2-8,10,15,17,20H,9,11H2,1H3/t15-,17-/m0/s1
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| InChIKey |
HWNWJXKQILUDPJ-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