General Information of the Compound
| Compound ID |
CP0891440
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| Compound Name |
(3S)-3-((S)-2-(3-(4-(ethoxycarbonyl)phenyl)ureido)-3-(4-hydroxyphenyl)propanamido)-1-(4-fluorobenzyl)-1-methylpiperidinium
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| Structure |
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| Formula |
C32H38FIN4O5
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| Molecular Weight |
704.581
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| Canonical SMILES |
CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H]2CCC[N+](C)(Cc3ccc(F)cc3)C2)cc1.[I-]
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| InChI |
InChI=1S/C32H37FN4O5.HI/c1-3-42-31(40)24-10-14-26(15-11-24)35-32(41)36-29(19-22-8-16-28(38)17-9-22)30(39)34-27-5-4-18-37(2,21-27)20-23-6-12-25(33)13-7-23;/h6-17,27,29H,3-5,18-21H2,1-2H3,(H3-,34,35,36,38,39,40,41);1H/t27-,29-,37?;/m0./s1
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| InChIKey |
BLEOSRYRMWBYNE-GBUJFNHDSA-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: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3