General Information of the Compound
| Compound ID |
CP0575569
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| Compound Name |
[(1S,3S)-8-chloro-1-phenyl-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
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| Structure |
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| Formula |
C16H16ClNO
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| Molecular Weight |
273.763
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| Canonical SMILES |
OC[C@@H]1Cc2cccc(Cl)c2[C@@H](N1)c1ccccc1
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| InChI |
InChI=1S/C16H16ClNO/c17-14-8-4-7-12-9-13(10-19)18-16(15(12)14)11-5-2-1-3-6-11/h1-8,13,16,18-19H,9-10H2/t13-,16-/m0/s1
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| InChIKey |
CJODZHGQJICPBV-BBRMVZONSA-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