General Information of the Compound
| Compound ID |
CP0390494
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| Compound Name |
(2R)-1-[(2S,4R)-4-hydroxy-1-(3,3,3-triphenylpropanoyl)pyrrolidine-2-yl]carbonyl-N-(4-piperidinylmethyl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C37H44N4O4
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| Molecular Weight |
608.783
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| Canonical SMILES |
O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCNCC1
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| InChI |
InChI=1S/C37H44N4O4/c42-31-23-33(36(45)40-22-10-17-32(40)35(44)39-25-27-18-20-38-21-19-27)41(26-31)34(43)24-37(28-11-4-1-5-12-28,29-13-6-2-7-14-29)30-15-8-3-9-16-30/h1-9,11-16,27,31-33,38,42H,10,17-26H2,(H,39,44)/t31-,32-,33+/m1/s1
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| InChIKey |
IPLIEWKYFXHNMH-SLGZMBILSA-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
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01516, Muscarinic acetylcholine receptor M5