General Information of the Compound
| Compound ID |
CP0403763
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| Compound Name |
N-methyl-4-[[4-[2-oxo-2-(6-oxo-5H-pyrido[2,3-b][1,4]benzodiazepin-11-yl)ethyl]piperazin-1-yl]methyl]benzamide
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| Structure |
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| Formula |
C27H28N6O3
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| Molecular Weight |
484.56
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| Canonical SMILES |
CNC(=O)c1ccc(CN2CCN(CC(=O)N3c4ccccc4C(=O)Nc4cccnc34)CC2)cc1
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| InChI |
InChI=1S/C27H28N6O3/c1-28-26(35)20-10-8-19(9-11-20)17-31-13-15-32(16-14-31)18-24(34)33-23-7-3-2-5-21(23)27(36)30-22-6-4-12-29-25(22)33/h2-12H,13-18H2,1H3,(H,28,35)(H,30,36)
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| InChIKey |
ZJSOFJRIJVTWTE-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: PT01913, Muscarinic acetylcholine receptor M1
Protein ID: PT01713, Muscarinic acetylcholine receptor M3
Protein ID: PT01736, Muscarinic acetylcholine receptor M4