General Information of the Compound
| Compound ID |
CP0849054
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| Compound Name |
1-[1-(3,3,3-Triphenyl-propionyl)-pyrrolidine-2-carbonyl]-pyrrolidine-2-carboxylic acid (1-cyclohexylmethyl-piperidin-3-ylmethyl)-amide
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| Structure |
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| Formula |
C44H56N4O3
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| Molecular Weight |
688.957
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| Canonical SMILES |
O=C(NC[C@H]1CCCN(CC2CCCCC2)C1)[C@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C44H56N4O3/c49-41(30-44(36-19-7-2-8-20-36,37-21-9-3-10-22-37)38-23-11-4-12-24-38)47-28-15-26-40(47)43(51)48-29-14-25-39(48)42(50)45-31-35-18-13-27-46(33-35)32-34-16-5-1-6-17-34/h2-4,7-12,19-24,34-35,39-40H,1,5-6,13-18,25-33H2,(H,45,50)/t35-,39-,40+/m1/s1
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| InChIKey |
UCBXWLPRAVDTBU-UZNICKRLSA-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