General Information of the Compound
| Compound ID |
CP0514007
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| Compound Name |
N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C20H21ClF3N3O
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| Molecular Weight |
411.855
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| Canonical SMILES |
CCN1CCN(CC1)c1ccc(NC(=O)c2cccc(c2)C(F)(F)F)cc1Cl
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| InChI |
InChI=1S/C20H21ClF3N3O/c1-2-26-8-10-27(11-9-26)18-7-6-16(13-17(18)21)25-19(28)14-4-3-5-15(12-14)20(22,23)24/h3-7,12-13H,2,8-11H2,1H3,(H,25,28)
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| InChIKey |
SQRJOOHMAHJJTB-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: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01516, Muscarinic acetylcholine receptor M5