General Information of the Compound
| Compound ID |
CP0390498
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| Compound Name |
(2R)-N-(1-ethyl-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 |
C39H45F3N4O4
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| Molecular Weight |
690.807
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| Canonical SMILES |
CCN1CCC(CNC(=O)[C@H]2CCCN2C(=O)[C@@H]2C[C@@H](O)CN2C(=O)CC(c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)CC1
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| InChI |
InChI=1S/C39H45F3N4O4/c1-2-44-20-17-26(18-21-44)24-43-37(49)34-4-3-19-45(34)38(50)35-22-33(47)25-46(35)36(48)23-39(27-5-11-30(40)12-6-27,28-7-13-31(41)14-8-28)29-9-15-32(42)16-10-29/h5-16,26,33-35,47H,2-4,17-25H2,1H3,(H,43,49)/t33-,34-,35+/m1/s1
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| InChIKey |
AOYBULVQHCLRGS-VATRIRCNSA-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