General Information of the Compound
| Compound ID |
CP0458127
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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-(4-piperidinylethyl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C38H43F3N4O4
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| Molecular Weight |
676.78
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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)NCCC1CCNCC1
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| InChI |
InChI=1S/C38H43F3N4O4/c39-29-9-3-26(4-10-29)38(27-5-11-30(40)12-6-27,28-7-13-31(41)14-8-28)23-35(47)45-24-32(46)22-34(45)37(49)44-21-1-2-33(44)36(48)43-20-17-25-15-18-42-19-16-25/h3-14,25,32-34,42,46H,1-2,15-24H2,(H,43,48)/t32-,33-,34+/m1/s1
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| InChIKey |
AIZMFPJJDXEQKC-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