General Information of the Compound
| Compound ID |
CP0574138
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| Compound Name |
N-[[1-(4-benzylpiperazin-1-yl)cyclopropyl]methyl]-N-(3-fluoropyridin-2-yl)propanamide
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| Structure |
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| Formula |
C23H29FN4O
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| Molecular Weight |
396.51
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| Canonical SMILES |
CCC(=O)N(CC1(CC1)N1CCN(Cc2ccccc2)CC1)c1ncccc1F
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| InChI |
InChI=1S/C23H29FN4O/c1-2-21(29)28(22-20(24)9-6-12-25-22)18-23(10-11-23)27-15-13-26(14-16-27)17-19-7-4-3-5-8-19/h3-9,12H,2,10-11,13-18H2,1H3
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| InChIKey |
CSWPKILRWGOCDB-UHFFFAOYSA-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: PT01515, Mu-type opioid receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2