General Information of the Compound
| Compound ID |
CP0134104
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| Compound Name |
5-[4-methyl-5-[3-[(2R,3S)-2-[4-(trifluoromethyl)phenyl]-5-azaspiro[2.4]heptan-5-yl]propylsulfanyl]-1,2,4-triazol-3-yl]-3H-pyridin-2-one
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| Structure |
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| Formula |
C24H26F3N5OS
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| Molecular Weight |
489.567
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| Canonical SMILES |
Cn1c(SCCCN2CC[C@]3(C[C@@H]3c3ccc(cc3)C(F)(F)F)C2)nnc1C1=CCC(=O)N=C1
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| InChI |
InChI=1S/C24H26F3N5OS/c1-31-21(17-5-8-20(33)28-14-17)29-30-22(31)34-12-2-10-32-11-9-23(15-32)13-19(23)16-3-6-18(7-4-16)24(25,26)27/h3-7,14,19H,2,8-13,15H2,1H3/t19-,23+/m1/s1
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| InChIKey |
XJTVRXYTOLNCDQ-XXBNENTESA-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