General Information of the Compound
| Compound ID |
CP0377612
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| Compound Name |
N-[3-[[1-(cyclohexylmethyl)piperidin-3-yl]methylamino]-3-oxopropyl]-4-(3,3,3-triphenylpropanoylamino)butanamide
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| Structure |
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| Formula |
C41H54N4O3
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| Molecular Weight |
650.908
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| Canonical SMILES |
O=C(CCCNC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCC(=O)NCC1CCCN(CC2CCCCC2)C1
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| InChI |
InChI=1S/C41H54N4O3/c46-38(43-27-25-39(47)44-30-34-17-14-28-45(32-34)31-33-15-5-1-6-16-33)24-13-26-42-40(48)29-41(35-18-7-2-8-19-35,36-20-9-3-10-21-36)37-22-11-4-12-23-37/h2-4,7-12,18-23,33-34H,1,5-6,13-17,24-32H2,(H,42,48)(H,43,46)(H,44,47)
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| InChIKey |
KUKJOLRCPDCJAJ-UHFFFAOYSA-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