General Information of the Compound
| Compound ID |
CP0528931
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| Compound Name |
1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(1S,2S)-2-hydroxycyclohexyl]pyrrolo[3,2-b]pyridine-3-carboxamide
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| Structure |
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| Formula |
C25H26FN5O2
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| Molecular Weight |
447.514
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| Canonical SMILES |
Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3ncccc23)c(F)c1
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| InChI |
InChI=1S/C25H26FN5O2/c1-30-13-18(12-28-30)16-8-9-17(20(26)11-16)14-31-15-19(24-22(31)6-4-10-27-24)25(33)29-21-5-2-3-7-23(21)32/h4,6,8-13,15,21,23,32H,2-3,5,7,14H2,1H3,(H,29,33)/t21-,23-/m0/s1
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| InChIKey |
DCQAUWNCGVQNOP-GMAHTHKFSA-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