General Information of the Compound
| Compound ID |
CP0847176
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| Compound Name |
N-({2-[(1-Cyclohexylmethyl-piperidin-3-ylmethyl)-carbamoyl]-ethylcarbamoyl}-methyl)-3,3,3-triphenyl-propionamide
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| Structure |
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| Formula |
C39H50N4O3
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| Molecular Weight |
622.854
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| Canonical SMILES |
O=C(CCNC(=O)CNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1
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| InChI |
InChI=1S/C39H50N4O3/c44-36(41-27-32-16-13-25-43(30-32)29-31-14-5-1-6-15-31)23-24-40-38(46)28-42-37(45)26-39(33-17-7-2-8-18-33,34-19-9-3-10-20-34)35-21-11-4-12-22-35/h2-4,7-12,17-22,31-32H,1,5-6,13-16,23-30H2,(H,40,46)(H,41,44)(H,42,45)/t32-/m1/s1
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| InChIKey |
VWBQUAMKHIBZSG-JGCGQSQUSA-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