General Information of the Compound
| Compound ID |
CP0364090
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| Compound Name |
5-[3-[[4-methyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]sulfanyl]propyl]-1-phenyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
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| Structure |
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| Formula |
C23H33N5OS
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| Molecular Weight |
427.618
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| Canonical SMILES |
Cn1c(SCCCN2CC3CCN(C3C2)c2ccccc2)nnc1C1CCOCC1
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| InChI |
InChI=1S/C23H33N5OS/c1-26-22(18-9-13-29-14-10-18)24-25-23(26)30-15-5-11-27-16-19-8-12-28(21(19)17-27)20-6-3-2-4-7-20/h2-4,6-7,18-19,21H,5,8-17H2,1H3
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| InChIKey |
BGRFOPBDZYUOMJ-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