General Information of the Compound
| Compound ID |
CP0391917
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| Compound Name |
propan-2-yl 4-[[(2S)-1-[4-[1-[(4-chlorophenyl)methyl]pyrrolidin-1-ium-1-yl]piperidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoylamino]benzoate
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| Structure |
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| Formula |
C36H44ClN4O5+
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| Molecular Weight |
648.224
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| Canonical SMILES |
CC(C)OC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N2CCC(CC2)[N+]2(Cc3ccc(Cl)cc3)CCCC2)cc1
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| InChI |
InChI=1S/C36H43ClN4O5/c1-25(2)46-35(44)28-9-13-30(14-10-28)38-36(45)39-33(23-26-7-15-32(42)16-8-26)34(43)40-19-17-31(18-20-40)41(21-3-4-22-41)24-27-5-11-29(37)12-6-27/h5-16,25,31,33H,3-4,17-24H2,1-2H3,(H2-,38,39,42,44,45)/p+1/t33-/m0/s1
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| InChIKey |
LFSUTWJOQHTMTB-XIFFEERXSA-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