General Information of the Compound
| Compound ID |
CP0534796
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| Compound Name |
N-[(3S,4S)-4-hydroxyoxan-3-yl]-1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrrolo[3,2-b]pyridine-3-carboxamide
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| Structure |
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| Formula |
C24H25N5O3
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| Molecular Weight |
431.496
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| Canonical SMILES |
Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3COCC[C@@H]3O)c3ncccc23)cc1
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| InChI |
InChI=1S/C24H25N5O3/c1-28-13-18(11-26-28)17-6-4-16(5-7-17)12-29-14-19(23-21(29)3-2-9-25-23)24(31)27-20-15-32-10-8-22(20)30/h2-7,9,11,13-14,20,22,30H,8,10,12,15H2,1H3,(H,27,31)/t20-,22-/m0/s1
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| InChIKey |
DPQZMHNEOGYFCG-UNMCSNQZSA-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