General Information of the Compound
| Compound ID |
CP0408782
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| Compound Name |
1-adamantyl-[2-[[(2S)-3-(4-hydroxyphenyl)-2-[(4-propan-2-yloxycarbonylphenyl)carbamoylamino]propanoyl]amino]ethyl]-dimethylazanium
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| Structure |
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| Formula |
C34H47N4O5+
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| Molecular Weight |
591.773
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| Canonical SMILES |
CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+](C)(C)C23CC4CC(CC(C4)C2)C3)cc1
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| InChI |
InChI=1S/C34H46N4O5/c1-22(2)43-32(41)27-7-9-28(10-8-27)36-33(42)37-30(18-23-5-11-29(39)12-6-23)31(40)35-13-14-38(3,4)34-19-24-15-25(20-34)17-26(16-24)21-34/h5-12,22,24-26,30H,13-21H2,1-4H3,(H3-,35,36,37,39,40,41,42)/p+1/t24?,25?,26?,30-,34?/m0/s1
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| InChIKey |
NTXIFNZVYVWYBG-JBVCSEDXSA-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