General Information of the Compound
| Compound ID |
CP0450608
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| Compound Name |
N-[(3S,4S)-4-hydroxyoxan-3-yl]-1-[[6-(1-methylpyrazol-4-yl)pyridin-3-yl]methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
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| Structure |
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| Formula |
C23H24N6O3
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| Molecular Weight |
432.484
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| Canonical SMILES |
Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3COCC[C@@H]3O)c3ncccc23)cn1
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| InChI |
InChI=1S/C23H24N6O3/c1-28-12-16(10-26-28)18-5-4-15(9-25-18)11-29-13-17(22-20(29)3-2-7-24-22)23(31)27-19-14-32-8-6-21(19)30/h2-5,7,9-10,12-13,19,21,30H,6,8,11,14H2,1H3,(H,27,31)/t19-,21-/m0/s1
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| InChIKey |
YBYBWGIRJCSNDL-FPOVZHCZSA-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