General Information of the Compound
| Compound ID |
CP0425621
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| Compound Name |
N-[(1R,2S)-2-(2,5-dimethoxyphenyl)cyclopropyl]acetamide
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| Structure |
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| Formula |
C13H17NO3
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| Molecular Weight |
235.283
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| Canonical SMILES |
COc1ccc(OC)c(c1)[C@@H]1C[C@H]1NC(C)=O
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| InChI |
InChI=1S/C13H17NO3/c1-8(15)14-12-7-10(12)11-6-9(16-2)4-5-13(11)17-3/h4-6,10,12H,7H2,1-3H3,(H,14,15)/t10-,12+/m0/s1
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| InChIKey |
PKLKVZBBISYERZ-CMPLNLGQSA-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
Protein ID: PT01843, Melatonin receptor type 1A
Protein ID: PT02174, Melatonin receptor type 1B