General Information of the Compound
| Compound ID |
CP0452873
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| Compound Name |
(2S,3S)-N-[(2-methoxy-5-thiophen-3-ylphenyl)methyl]-2-phenylpiperidin-3-amine
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| Structure |
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| Formula |
C23H26N2OS
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| Molecular Weight |
378.541
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| Canonical SMILES |
COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-c1ccsc1
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| InChI |
InChI=1S/C23H26N2OS/c1-26-22-10-9-18(19-11-13-27-16-19)14-20(22)15-25-21-8-5-12-24-23(21)17-6-3-2-4-7-17/h2-4,6-7,9-11,13-14,16,21,23-25H,5,8,12,15H2,1H3/t21-,23-/m0/s1
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| InChIKey |
WCIIIOXFGGLKMU-GMAHTHKFSA-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