General Information of the Compound
| Compound ID |
CP0430242
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| Compound Name |
propan-2-yl 4-[[(2S)-3-(4-hydroxyphenyl)-1-[2-(1-methylazepan-1-ium-1-yl)ethylamino]-1-oxopropan-2-yl]carbamoylamino]benzoate
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| Structure |
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| Formula |
C29H41N4O5+
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| Molecular Weight |
525.67
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| Canonical SMILES |
CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC[N+]2(C)CCCCCC2)cc1
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| InChI |
InChI=1S/C29H40N4O5/c1-21(2)38-28(36)23-10-12-24(13-11-23)31-29(37)32-26(20-22-8-14-25(34)15-9-22)27(35)30-16-19-33(3)17-6-4-5-7-18-33/h8-15,21,26H,4-7,16-20H2,1-3H3,(H3-,30,31,32,34,35,36,37)/p+1/t26-/m0/s1
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| InChIKey |
OGASJMHZEUYYQJ-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