General Information of the Compound
| Compound ID |
CP0454181
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| Compound Name |
1-(2-methylbenzyl)-5-(trifluoromethoxy)indoline-2,3-dione
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| Structure |
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| Formula |
C17H12F3NO3
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| Molecular Weight |
335.281
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| Canonical SMILES |
Cc1ccccc1CN1C(=O)C(=O)c2cc(OC(F)(F)F)ccc12
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| InChI |
InChI=1S/C17H12F3NO3/c1-10-4-2-3-5-11(10)9-21-14-7-6-12(24-17(18,19)20)8-13(14)15(22)16(21)23/h2-8H,9H2,1H3
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| InChIKey |
BLFLCAHRUVIFSV-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