General Information of the Compound
| Compound ID |
CP0447892
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| Compound Name |
(4-chlorophenyl)methyl-[2-[[(2S)-3-(4-hydroxyphenyl)-2-[(4-propan-2-yloxycarbonylphenyl)carbamoylamino]propanoyl]amino]ethyl]-dimethylazanium
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| Structure |
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| Formula |
C31H38ClN4O5+
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| Molecular Weight |
582.121
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| Canonical SMILES |
CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+](C)(C)Cc2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C31H37ClN4O5/c1-21(2)41-30(39)24-9-13-26(14-10-24)34-31(40)35-28(19-22-7-15-27(37)16-8-22)29(38)33-17-18-36(3,4)20-23-5-11-25(32)12-6-23/h5-16,21,28H,17-20H2,1-4H3,(H3-,33,34,35,37,38,39,40)/p+1/t28-/m0/s1
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| InChIKey |
QUPJVYNMOIZXHG-NDEPHWFRSA-O
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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