General Information of the Compound
| Compound ID |
CP0549269
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| Compound Name |
1-amino-2-[hydroxy(pyridin-4-yl)methyl]-6,7,8,9-tetrahydro-4H-thieno[2,3-c]isoquinolin-5-one
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| Structure |
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| Formula |
C17H17N3O2S
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| Molecular Weight |
327.409
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| Canonical SMILES |
Nc1c(sc2nc(O)c3CCCCc3c12)C(O)c1ccncc1
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| InChI |
InChI=1S/C17H17N3O2S/c18-13-12-10-3-1-2-4-11(10)16(22)20-17(12)23-15(13)14(21)9-5-7-19-8-6-9/h5-8,14,21H,1-4,18H2,(H,20,22)
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| InChIKey |
GBOMRJPJEJZFCY-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