General Information of the Compound
| Compound ID |
CP0922427
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| Compound Name |
(3S)-3-((S)-2-(3-(5-(cyclohexyloxycarbonyl)thiophen-2-yl)ureido)-3-(4-hydroxyphenyl)propanamido)-1-(4-hydroxybenzyl)-1-methylpiperidinium
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| Structure |
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| Formula |
C34H43IN4O6S
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| Molecular Weight |
762.711
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| Canonical SMILES |
C[N+]1(Cc2ccc(O)cc2)CCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)Nc2ccc(C(=O)OC3CCCCC3)s2)C1.[I-]
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| InChI |
InChI=1S/C34H42N4O6S.HI/c1-38(21-24-11-15-27(40)16-12-24)19-5-6-25(22-38)35-32(41)29(20-23-9-13-26(39)14-10-23)36-34(43)37-31-18-17-30(45-31)33(42)44-28-7-3-2-4-8-28;/h9-18,25,28-29H,2-8,19-22H2,1H3,(H4-,35,36,37,39,40,41,42,43);1H/t25-,29-,38?;/m0./s1
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| InChIKey |
VQDKKGYTYDGCOQ-SDOHQYEBSA-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