General Information of the Compound
| Compound ID |
CP0383962
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| Compound Name |
N-[4-[1-[2-oxo-2-(6-oxo-5H-benzo[b][1,4]benzodiazepin-11-yl)ethyl]piperidin-4-yl]butyl]propanamide;2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C29H35F3N4O5
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| Molecular Weight |
576.616
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| Canonical SMILES |
OC(=O)C(F)(F)F.CCC(=O)NCCCCC1CCN(CC(=O)N2c3ccccc3NC(=O)c3ccccc23)CC1
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| InChI |
InChI=1S/C27H34N4O3.C2HF3O2/c1-2-25(32)28-16-8-7-9-20-14-17-30(18-15-20)19-26(33)31-23-12-5-3-10-21(23)27(34)29-22-11-4-6-13-24(22)31;3-2(4,5)1(6)7/h3-6,10-13,20H,2,7-9,14-19H2,1H3,(H,28,32)(H,29,34);(H,6,7)
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| InChIKey |
ZWWSYSXCCVJTLJ-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