General Information of the Compound
| Compound ID |
CP0423458
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| Compound Name |
2-[[(2S)-3-(4-hydroxyphenyl)-2-[(4-propan-2-yloxycarbonylphenyl)carbamoylamino]propanoyl]amino]ethyl-methyl-bis(naphthalen-2-ylmethyl)azanium
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| Structure |
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| Formula |
C45H47N4O5+
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| Molecular Weight |
723.894
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| Canonical SMILES |
CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+](C)(Cc2ccc3ccccc3c2)Cc2ccc3ccccc3c2)cc1
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| InChI |
InChI=1S/C45H46N4O5/c1-31(2)54-44(52)37-18-20-40(21-19-37)47-45(53)48-42(28-32-14-22-41(50)23-15-32)43(51)46-24-25-49(3,29-33-12-16-35-8-4-6-10-38(35)26-33)30-34-13-17-36-9-5-7-11-39(36)27-34/h4-23,26-27,31,42H,24-25,28-30H2,1-3H3,(H3-,46,47,48,50,51,52,53)/p+1/t42-/m0/s1
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| InChIKey |
CCMKPZZOFUAWCG-WBCKFURZSA-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