General Information of the Compound
| Compound ID |
CP0859758
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| Compound Name |
6-(3,3,3-Triphenyl-propionylamino)-hexanoic acid (1-cyclohexylmethyl-piperidin-3-ylmethyl)-amide
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| Structure |
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| Formula |
C40H53N3O2
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| Molecular Weight |
607.883
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| Canonical SMILES |
O=C(CCCCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1
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| InChI |
InChI=1S/C40H53N3O2/c44-38(42-30-34-19-16-28-43(32-34)31-33-17-6-1-7-18-33)26-14-5-15-27-41-39(45)29-40(35-20-8-2-9-21-35,36-22-10-3-11-23-36)37-24-12-4-13-25-37/h2-4,8-13,20-25,33-34H,1,5-7,14-19,26-32H2,(H,41,45)(H,42,44)/t34-/m1/s1
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| InChIKey |
STUWFURQGSMWES-UUWRZZSWSA-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