General Information of the Compound
| Compound ID |
CP0376700
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| Compound Name |
2-[[(2S)-3-(4-hydroxyphenyl)-2-[(4-propan-2-yloxycarbonylphenyl)carbamoylamino]propanoyl]amino]ethyl-methyl-di(propan-2-yl)azanium
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| Structure |
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| Formula |
C29H43N4O5+
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| Molecular Weight |
527.686
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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(C)C)C(C)C)cc1
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| InChI |
InChI=1S/C29H42N4O5/c1-19(2)33(7,20(3)4)17-16-30-27(35)26(18-22-8-14-25(34)15-9-22)32-29(37)31-24-12-10-23(11-13-24)28(36)38-21(5)6/h8-15,19-21,26H,16-18H2,1-7H3,(H3-,30,31,32,34,35,36,37)/p+1/t26-/m0/s1
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| InChIKey |
CFOKNQFWJGSGNX-SANMLTNESA-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