General Information of the Compound
| Compound ID |
CP0858377
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| Compound Name |
(3S)-1-(4-hydroxybenzyl)-3-((S)-3-(4-hydroxyphenyl)-2-(3-(4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl)ureido)propanamido)-1-methylpiperidinium
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| Structure |
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| Formula |
C32H37IN6O5
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| Molecular Weight |
712.589
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| Canonical SMILES |
Cc1noc(-c2ccc(NC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N[C@H]3CCC[N+](C)(Cc4ccc(O)cc4)C3)cc2)n1.[I-]
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| InChI |
InChI=1S/C32H36N6O5.HI/c1-21-33-31(43-37-21)24-9-11-25(12-10-24)35-32(42)36-29(18-22-5-13-27(39)14-6-22)30(41)34-26-4-3-17-38(2,20-26)19-23-7-15-28(40)16-8-23;/h5-16,26,29H,3-4,17-20H2,1-2H3,(H4-,33,34,35,36,37,39,40,41,42);1H/t26-,29-,38?;/m0./s1
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| InChIKey |
KBJPPKSFFDIUDK-RFRXDZATSA-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