General Information of the Compound
| Compound ID |
CP0485213
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| Compound Name |
(2R)-1-((2S,4R)-4-hydroxy-1-[3,3,3-tris(4-fluorophenyl)propanoyl]pyrrolidine-2-yl)carbonyl-N-[1-(2-propyl)-4-piperidinylmethyl]pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C34H36F3N3O4
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| Molecular Weight |
607.673
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| Canonical SMILES |
CC(C)NC(=O)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)CN1C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1
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| InChI |
InChI=1S/C34H36F3N3O4/c1-21(2)38-32(43)29-4-3-17-39(29)33(44)30-18-28(41)20-40(30)31(42)19-34(22-5-11-25(35)12-6-22,23-7-13-26(36)14-8-23)24-9-15-27(37)16-10-24/h5-16,21,28-30,41H,3-4,17-20H2,1-2H3,(H,38,43)/t28-,29-,30+/m1/s1
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| InChIKey |
XNEGPONSGSBZSW-OCBJUFRSSA-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