General Information of the Compound
| Compound ID |
CP0481049
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| Compound Name |
(2S,3S)-N-[(5-bromo-2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
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| Structure |
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| Formula |
C19H23BrN2O
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| Molecular Weight |
375.31
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| Canonical SMILES |
COc1ccc(Br)cc1CN[C@H]1CCCN[C@H]1c1ccccc1
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| InChI |
InChI=1S/C19H23BrN2O/c1-23-18-10-9-16(20)12-15(18)13-22-17-8-5-11-21-19(17)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,17,19,21-22H,5,8,11,13H2,1H3/t17-,19-/m0/s1
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| InChIKey |
IWYYILZQWTZMBD-HKUYNNGSSA-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