General Information of the Compound
| Compound ID |
CP0371698
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| Compound Name |
1-(4-(thiophen-3-yl)benzyl)-5-(trifluoromethoxy)indoline-2,3-dione
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| Structure |
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| Formula |
C20H12F3NO3S
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| Molecular Weight |
403.381
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| Canonical SMILES |
FC(F)(F)Oc1ccc2N(Cc3ccc(cc3)-c3ccsc3)C(=O)C(=O)c2c1
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| InChI |
InChI=1S/C20H12F3NO3S/c21-20(22,23)27-15-5-6-17-16(9-15)18(25)19(26)24(17)10-12-1-3-13(4-2-12)14-7-8-28-11-14/h1-9,11H,10H2
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| InChIKey |
RSEUVMGVNMLOCQ-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