General Information of the Compound
| Compound ID |
CP0506234
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| Compound Name |
N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-3-methylbenzamide
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| Structure |
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| Formula |
C20H24ClN3O
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| Molecular Weight |
357.885
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| Canonical SMILES |
CCN1CCN(CC1)c1ccc(NC(=O)c2cccc(C)c2)cc1Cl
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| InChI |
InChI=1S/C20H24ClN3O/c1-3-23-9-11-24(12-10-23)19-8-7-17(14-18(19)21)22-20(25)16-6-4-5-15(2)13-16/h4-8,13-14H,3,9-12H2,1-2H3,(H,22,25)
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| InChIKey |
DBPDHFWBWJNZSI-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: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT01516, Muscarinic acetylcholine receptor M5