General Information of the Compound
| Compound ID |
CP0440676
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| Compound Name |
ethyl 4-[[(2S)-1-[[1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoylamino]benzoate
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| Structure |
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| Formula |
C31H33N5O5
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| Molecular Weight |
555.635
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| Canonical SMILES |
CCOC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NC2CCN(Cc3cccc(c3)C#N)C2)cc1
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| InChI |
InChI=1S/C31H33N5O5/c1-2-41-30(39)24-8-10-25(11-9-24)34-31(40)35-28(17-21-6-12-27(37)13-7-21)29(38)33-26-14-15-36(20-26)19-23-5-3-4-22(16-23)18-32/h3-13,16,26,28,37H,2,14-15,17,19-20H2,1H3,(H,33,38)(H2,34,35,40)/t26?,28-/m0/s1
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| InChIKey |
AMWYWNMCYBNFMO-RXBHZZDJSA-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