General Information of the Compound
| Compound ID |
CP0467303
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| Compound Name |
(2R)-N-(1-cyclopentylmethyl-4-piperidinylmethyl)-1-((2S,4R)-4-hydroxy-1-[3,3,3-tris(4-fluorophenyl)propanoyl]pyrrolidine-2-yl)carbonylpyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C43H51F3N4O4
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| Molecular Weight |
744.899
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| Canonical SMILES |
O[C@@H]1C[C@H](N(C1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N1CCC[C@@H]1C(=O)NCC1CCN(CC2CCCC2)CC1
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| InChI |
InChI=1S/C43H51F3N4O4/c44-34-13-7-31(8-14-34)43(32-9-15-35(45)16-10-32,33-11-17-36(46)18-12-33)25-40(52)50-28-37(51)24-39(50)42(54)49-21-3-6-38(49)41(53)47-26-29-19-22-48(23-20-29)27-30-4-1-2-5-30/h7-18,29-30,37-39,51H,1-6,19-28H2,(H,47,53)/t37-,38-,39+/m1/s1
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| InChIKey |
UPPZIKNLEDOKKO-PHAUOLPESA-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