General Information of the Compound
| Compound ID |
CP0496308
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| Compound Name |
1-[(2S,5S)-2-benzyl-5-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethanone
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| Formula |
C22H28N2O4
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| Molecular Weight |
384.476
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| Canonical SMILES |
COc1cc(C[C@H]2CN([C@@H](Cc3ccccc3)CN2)C(C)=O)cc(OC)c1O
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| InChI |
InChI=1S/C22H28N2O4/c1-15(25)24-14-18(23-13-19(24)10-16-7-5-4-6-8-16)9-17-11-20(27-2)22(26)21(12-17)28-3/h4-8,11-12,18-19,23,26H,9-10,13-14H2,1-3H3/t18-,19-/m0/s1
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| InChIKey |
PZFQCYWITYPTOJ-OALUTQOASA-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