General Information of the Compound
| Compound ID |
CP0390497
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| Compound Name |
(2R)-1-[(2S,4R)-4-hydroxy-1-(3,3,3-triphenylpropanoyl)pyrrolidine-2-yl]carbonyl-N-(4-piperidinylethyl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C38H46N4O4
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| Molecular Weight |
622.81
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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)NCCC1CCNCC1
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| InChI |
InChI=1S/C38H46N4O4/c43-32-25-34(37(46)41-24-10-17-33(41)36(45)40-23-20-28-18-21-39-22-19-28)42(27-32)35(44)26-38(29-11-4-1-5-12-29,30-13-6-2-7-14-30)31-15-8-3-9-16-31/h1-9,11-16,28,32-34,39,43H,10,17-27H2,(H,40,45)/t32-,33-,34+/m1/s1
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| InChIKey |
KFVGSPFDTINYRJ-SXLOSVNLSA-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