General Information of the Compound
| Compound ID |
CP0849742
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| Compound Name |
1-(3,3,3-Triphenyl-propionyl)-pyrrolidine-2-carboxylic acid {2-[(1-cyclohexylmethyl-piperidin-3-ylmethyl)-carbamoyl]-ethyl}-amide
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| Structure |
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| Formula |
C42H54N4O3
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| Molecular Weight |
662.919
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| Canonical SMILES |
O=C(CCNC(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NC[C@H]1CCCN(CC2CCCCC2)C1
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| InChI |
InChI=1S/C42H54N4O3/c47-39(44-30-34-17-13-27-45(32-34)31-33-15-5-1-6-16-33)25-26-43-41(49)38-24-14-28-46(38)40(48)29-42(35-18-7-2-8-19-35,36-20-9-3-10-21-36)37-22-11-4-12-23-37/h2-4,7-12,18-23,33-34,38H,1,5-6,13-17,24-32H2,(H,43,49)(H,44,47)/t34-,38+/m1/s1
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| InChIKey |
ZNXQAFLLESPBNZ-BYYXFNHRSA-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