General Information of the Compound
| Compound ID |
CP0374547
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| Compound Name |
CHEMBL1223941
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| Formula |
C23H31N3O4
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| Molecular Weight |
413.518
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| Canonical SMILES |
COCCO[C@H]1CC[C@@](C)(CC1)N1CCC(CC1)n1c2cc(ccc2oc1=O)C#N
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| InChI |
InChI=1S/C23H31N3O4/c1-23(9-5-19(6-10-23)29-14-13-28-2)25-11-7-18(8-12-25)26-20-15-17(16-24)3-4-21(20)30-22(26)27/h3-4,15,18-19H,5-14H2,1-2H3/t19-,23-
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| InChIKey |
GCEVFXMRGSNNRI-UILWBTOOSA-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: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01516, Muscarinic acetylcholine receptor M5