General Information of the Compound
| Compound ID |
CP0422157
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| Compound Name |
1-[4-(6-chloro-3-pyridyl)benzyl]-5-(trifluoromethoxy)isatin;2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C21H12ClF3N2O3
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| Molecular Weight |
432.785
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| Canonical SMILES |
FC(F)(F)Oc1ccc2N(Cc3ccc(cc3)-c3ccc(Cl)nc3)C(=O)C(=O)c2c1
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| InChI |
InChI=1S/C21H12ClF3N2O3/c22-18-8-5-14(10-26-18)13-3-1-12(2-4-13)11-27-17-7-6-15(30-21(23,24)25)9-16(17)19(28)20(27)29/h1-10H,11H2
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| InChIKey |
LUHNHJZWUYWOMX-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: PT01913, Muscarinic acetylcholine receptor M1
Protein ID: PT01516, Muscarinic acetylcholine receptor M5