General Information of the Compound
| Compound ID |
CP0401466
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| Compound Name |
N-[3-chloro-4-(4-ethylpiperazin-1-yl)phenyl]-2,5-bis(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C21H20ClF6N3O
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| Molecular Weight |
479.852
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| Canonical SMILES |
CCN1CCN(CC1)c1ccc(NC(=O)c2cc(ccc2C(F)(F)F)C(F)(F)F)cc1Cl
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| InChI |
InChI=1S/C21H20ClF6N3O/c1-2-30-7-9-31(10-8-30)18-6-4-14(12-17(18)22)29-19(32)15-11-13(20(23,24)25)3-5-16(15)21(26,27)28/h3-6,11-12H,2,7-10H2,1H3,(H,29,32)
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| InChIKey |
JQRLKSBFNGHMGT-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