General Information of the Compound
| Compound ID |
CP0201646
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| Compound Name |
N-[(3R,4S)-1-[(1-acetylpiperidin-4-yl)methyl]-3-methoxypiperidin-4-yl]-4-amino-5-chloro-2-methoxybenzamide
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| Structure |
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| Formula |
C22H33ClN4O4
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| Molecular Weight |
452.983
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| Canonical SMILES |
CO[C@@H]1CN(CC2CCN(CC2)C(C)=O)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC
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| InChI |
InChI=1S/C22H33ClN4O4/c1-14(28)27-8-4-15(5-9-27)12-26-7-6-19(21(13-26)31-3)25-22(29)16-10-17(23)18(24)11-20(16)30-2/h10-11,15,19,21H,4-9,12-13,24H2,1-3H3,(H,25,29)/t19-,21+/m0/s1
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| InChIKey |
AACMOCSSQXOERG-PZJWPPBQSA-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