General Information of the Compound
| Compound ID |
CP0430238
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| Compound Name |
(4-chlorophenyl)methyl-[(3S)-1-[(2S)-3-(4-hydroxyphenyl)-2-[(4-propan-2-yloxycarbonylphenyl)carbamoylamino]propanoyl]piperidin-3-yl]-dimethylazanium
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| Structure |
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| Formula |
C34H42ClN4O5+
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| Molecular Weight |
622.186
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| Canonical SMILES |
CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC[C@@H](C2)[N+](C)(C)Cc2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C34H41ClN4O5/c1-23(2)44-33(42)26-11-15-28(16-12-26)36-34(43)37-31(20-24-9-17-30(40)18-10-24)32(41)38-19-5-6-29(21-38)39(3,4)22-25-7-13-27(35)14-8-25/h7-18,23,29,31H,5-6,19-22H2,1-4H3,(H2-,36,37,40,42,43)/p+1/t29-,31-/m0/s1
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| InChIKey |
IRQNZOGGZGSWQD-SMCANUKXSA-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