General Information of the Compound
| Compound ID |
CP0493290
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| Compound Name |
ethyl 4-[[(2S)-3-(4-hydroxyphenyl)-1-[[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-1-oxopropan-2-yl]carbamoylamino]benzoate
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| Structure |
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| Formula |
C31H36N4O6
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| Molecular Weight |
560.651
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| Canonical SMILES |
CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccccc3OC)C2)cc1
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| InChI |
InChI=1S/C31H36N4O6/c1-3-41-30(38)22-10-12-24(13-11-22)33-31(39)34-27(18-21-8-14-26(36)15-9-21)29(37)32-25-16-17-35(20-25)19-23-6-4-5-7-28(23)40-2/h4-15,25,27,36H,3,16-20H2,1-2H3,(H,32,37)(H2,33,34,39)/t25?,27-/m0/s1
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| InChIKey |
FWDQHCMQPLYEEB-GPNIZQGCSA-N
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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