General Information of the Compound
| Compound ID |
CP0391916
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| Compound Name |
2-[benzyl-[(2S)-3-(4-hydroxyphenyl)-2-[(4-propan-2-yloxycarbonylphenyl)carbamoylamino]propanoyl]amino]ethyl-trimethylazanium
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| Structure |
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| Formula |
C32H41N4O5+
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| Molecular Weight |
561.703
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| Canonical SMILES |
CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N(CC[N+](C)(C)C)Cc2ccccc2)cc1
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| InChI |
InChI=1S/C32H40N4O5/c1-23(2)41-31(39)26-13-15-27(16-14-26)33-32(40)34-29(21-24-11-17-28(37)18-12-24)30(38)35(19-20-36(3,4)5)22-25-9-7-6-8-10-25/h6-18,23,29H,19-22H2,1-5H3,(H2-,33,34,37,39,40)/p+1/t29-/m0/s1
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| InChIKey |
OAEFSBJQWFGYCK-LJAQVGFWSA-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