General Information of the Compound
| Compound ID |
CP0393859
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| Compound Name |
(2R)-N-(1-cyclopentyl-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 |
C42H49F3N4O4
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| Molecular Weight |
730.872
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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(CC1)C1CCCC1
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| InChI |
InChI=1S/C42H49F3N4O4/c43-32-13-7-29(8-14-32)42(30-9-15-33(44)16-10-30,31-11-17-34(45)18-12-31)25-39(51)49-27-36(50)24-38(49)41(53)48-21-3-6-37(48)40(52)46-26-28-19-22-47(23-20-28)35-4-1-2-5-35/h7-18,28,35-38,50H,1-6,19-27H2,(H,46,52)/t36-,37-,38+/m1/s1
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| InChIKey |
SSQJHXZOEJZLAK-IZNNDHRXSA-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