General Information of the Compound
| Compound ID |
CP0847223
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| Compound Name |
5-(3-Methylsulfanylmethyl-[1,2,4]oxadiazol-5-yl)-1,4,5,6-tetrahydro-pyrimidine TFA
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| Structure |
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| Formula |
C10H13F3N4O3S
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| Molecular Weight |
326.3
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| Canonical SMILES |
CSCc1noc(C2CN=CNC2)n1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C8H12N4OS.C2HF3O2/c1-14-4-7-11-8(13-12-7)6-2-9-5-10-3-6;3-2(4,5)1(6)7/h5-6H,2-4H2,1H3,(H,9,10);(H,6,7)
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| InChIKey |
QLALQCQVMXPLIT-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: PT03415, Muscarinic acetylcholine receptor M1
Protein ID: PT06153, Muscarinic acetylcholine receptor M3