General Information of the Compound
| Compound ID |
CP0446632
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| Compound Name |
3-[1-[4-[1-[2-oxo-2-(6-oxo-5H-benzo[b][1,4]benzodiazepin-11-yl)ethyl]piperidin-4-yl]butyl]imidazol-4-yl]-N-[2-(propanoylamino)ethyl]propanamide
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| Structure |
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| Formula |
C35H45N7O4
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| Molecular Weight |
631.8060986
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| Canonical SMILES |
[3H]CC([3H])C(=O)NCCNC(=O)CCc1cn(CCCCC2CCN(CC(=O)N3c4ccccc4NC(=O)c4ccccc34)CC2)cn1
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| InChI |
InChI=1S/C35H45N7O4/c1-2-32(43)36-18-19-37-33(44)15-14-27-23-41(25-38-27)20-8-7-9-26-16-21-40(22-17-26)24-34(45)42-30-12-5-3-10-28(30)35(46)39-29-11-4-6-13-31(29)42/h3-6,10-13,23,25-26H,2,7-9,14-22,24H2,1H3,(H,36,43)(H,37,44)(H,39,46)
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| InChIKey |
SADFFAQSWHTWLL-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: PT01198, Muscarinic acetylcholine receptor M2
Cell-based Assay