General Information of the Compound
| Compound ID |
CP0317889
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| Compound Name |
5-[3-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propyl]-1-[2-(trifluoromethyl)phenyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
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| Structure |
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| Formula |
C24H27F3N6S
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| Molecular Weight |
488.583
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| Canonical SMILES |
Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2C(F)(F)F)nnc1-c1cccnc1
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| InChI |
InChI=1S/C24H27F3N6S/c1-31-22(17-6-4-10-28-14-17)29-30-23(31)34-13-5-11-32-15-18-9-12-33(21(18)16-32)20-8-3-2-7-19(20)24(25,26)27/h2-4,6-8,10,14,18,21H,5,9,11-13,15-16H2,1H3
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| InChIKey |
UFUQIVBOXLXINJ-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