General Information of the Compound
| Compound ID |
CP0474371
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| Compound Name |
methyl 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 |
C29H32N4O6
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| Molecular Weight |
532.597
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| Canonical SMILES |
COC(=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/C29H32N4O6/c1-39-28(37)21-6-8-22(9-7-21)31-29(38)32-26(16-19-2-10-24(34)11-3-19)27(36)30-23-14-15-33(18-23)17-20-4-12-25(35)13-5-20/h2-13,23,26,34-35H,14-18H2,1H3,(H,30,36)(H2,31,32,38)/t23?,26-/m0/s1
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| InChIKey |
ZETHWWBQKDKSDJ-NASUQTAISA-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