General Information of the Compound
| Compound ID |
CP0375123
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| Compound Name |
(2R,3R)-3-(4-(aminomethyl)-4-phenylpiperidin-1-yl)-5-iodo-1,2,3,4-tetrahydronaphthalen-2-ol
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| Structure |
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| Formula |
C22H27IN2O
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| Molecular Weight |
462.375
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| Canonical SMILES |
NCC1(CCN(CC1)[C@@H]1Cc2c(I)cccc2C[C@H]1O)c1ccccc1
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| InChI |
InChI=1S/C22H27IN2O/c23-19-8-4-5-16-13-21(26)20(14-18(16)19)25-11-9-22(15-24,10-12-25)17-6-2-1-3-7-17/h1-8,20-21,26H,9-15,24H2/t20-,21-/m1/s1
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| InChIKey |
KGIAXLXHOYZACK-NHCUHLMSSA-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