General Information of the Compound
| Compound ID |
CP0378947
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| Compound Name |
(2,5-Dimethoxy-benzyl)-((2S,3S)-2-phenyl-piperidin-3-yl)-amine
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| Structure |
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| Formula |
C20H26N2O2
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| Molecular Weight |
326.44
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| Canonical SMILES |
COc1ccc(OC)c(CN[C@H]2CCCN[C@H]2c2ccccc2)c1
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| InChI |
InChI=1S/C20H26N2O2/c1-23-17-10-11-19(24-2)16(13-17)14-22-18-9-6-12-21-20(18)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,18,20-22H,6,9,12,14H2,1-2H3/t18-,20-/m0/s1
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| InChIKey |
JWFRVJYQGQVKBH-ICSRJNTNSA-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