General Information of the Compound
| Compound ID |
CP0578778
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| Compound Name |
[(1R,3S)-6-chloro-1-(2-chlorophenyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
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| Structure |
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| Formula |
C16H15Cl2NO
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| Molecular Weight |
308.208
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| Canonical SMILES |
OC[C@@H]1Cc2cc(Cl)ccc2[C@@H](N1)c1ccccc1Cl
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| InChI |
InChI=1S/C16H15Cl2NO/c17-11-5-6-13-10(7-11)8-12(9-20)19-16(13)14-3-1-2-4-15(14)18/h1-7,12,16,19-20H,8-9H2/t12-,16+/m0/s1
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| InChIKey |
NPNUHEMJKAJPFO-BLLLJJGKSA-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