General Information of the Compound
| Compound ID |
CP0394158
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| Compound Name |
(2R)-N-(1-cyclopropylmethyl-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 |
C41H47F3N4O4
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| Molecular Weight |
716.845
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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(CC2CC2)CC1
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| InChI |
InChI=1S/C41H47F3N4O4/c42-32-11-5-29(6-12-32)41(30-7-13-33(43)14-8-30,31-9-15-34(44)16-10-31)23-38(50)48-26-35(49)22-37(48)40(52)47-19-1-2-36(47)39(51)45-24-27-17-20-46(21-18-27)25-28-3-4-28/h5-16,27-28,35-37,49H,1-4,17-26H2,(H,45,51)/t35-,36-,37+/m1/s1
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| InChIKey |
UUQTXJMGYQWWJC-RQOYOAKWSA-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