General Information of the Compound
| Compound ID |
CP0122473
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| Compound Name |
1-methyl-5-[4-methyl-5-[3-[1-[4-(trifluoromethyl)phenyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]propylsulfanyl]-1,2,4-triazol-3-yl]pyridin-2-one
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| Structure |
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| Formula |
C25H29F3N6OS
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| Molecular Weight |
518.609
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| Canonical SMILES |
Cn1c(SCCCN2CC3CCN(C3C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccc(=O)n(C)c1
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| InChI |
InChI=1S/C25H29F3N6OS/c1-31-14-18(4-9-22(31)35)23-29-30-24(32(23)2)36-13-3-11-33-15-17-10-12-34(21(17)16-33)20-7-5-19(6-8-20)25(26,27)28/h4-9,14,17,21H,3,10-13,15-16H2,1-2H3
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| InChIKey |
STIWHEMFVTWALB-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: PT01266, Muscarinic acetylcholine receptor M3