General Information of the Compound
| Compound ID |
CP0481463
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| Compound Name |
propyl 4-[[(2S)-3-(4-hydroxyphenyl)-1-[[1-[(4-hydroxyphenyl)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 |
CCCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3ccc(O)cc3)C2)cc1
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| InChI |
InChI=1S/C31H36N4O6/c1-2-17-41-30(39)23-7-9-24(10-8-23)33-31(40)34-28(18-21-3-11-26(36)12-4-21)29(38)32-25-15-16-35(20-25)19-22-5-13-27(37)14-6-22/h3-14,25,28,36-37H,2,15-20H2,1H3,(H,32,38)(H2,33,34,40)/t25?,28-/m0/s1
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| InChIKey |
VSIWWORCEGQUCZ-NMXAJACMSA-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