General Information of the Compound
| Compound ID |
CP0538509
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| Compound Name |
[3-amino-8-(pyridin-4-ylmethoxy)-5-thia-7-azatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,7-tetraen-4-yl]-pyridin-4-ylmethanol
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| Structure |
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| Formula |
C22H20N4O2S
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| Molecular Weight |
404.495
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| Canonical SMILES |
Nc1c(sc2nc(OCc3ccncc3)c3CCCc3c12)C(O)c1ccncc1
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| InChI |
InChI=1S/C22H20N4O2S/c23-18-17-15-2-1-3-16(15)21(28-12-13-4-8-24-9-5-13)26-22(17)29-20(18)19(27)14-6-10-25-11-7-14/h4-11,19,27H,1-3,12,23H2
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| InChIKey |
ANNRDPJKNDKBJH-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: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01736, Muscarinic acetylcholine receptor M4