General Information of the Compound
| Compound ID |
CP0383279
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| Compound Name |
N-[(3S,4R)-3-hydroxyoxan-4-yl]-1-methyl-4-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
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| Structure |
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| Formula |
C24H24N4O3S
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| Molecular Weight |
448.548
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| Canonical SMILES |
Cn1ccc2c(Cc3ccc(cc3)-c3nccs3)cc(nc12)C(=O)N[C@@H]1CCOC[C@H]1O
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| InChI |
InChI=1S/C24H24N4O3S/c1-28-9-6-18-17(12-15-2-4-16(5-3-15)24-25-8-11-32-24)13-20(26-22(18)28)23(30)27-19-7-10-31-14-21(19)29/h2-6,8-9,11,13,19,21,29H,7,10,12,14H2,1H3,(H,27,30)/t19-,21-/m1/s1
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| InChIKey |
AUKATKSQEIQIBB-TZIWHRDSSA-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: PT01913, Muscarinic acetylcholine receptor M1