General Information of the Compound
| Compound ID |
CP0427347
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| Compound Name |
3-Amino-N-(2-{4-[2-oxo-2-(6-oxo-5,6-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-11-yl)-ethyl]-piperazin-1-yl}-ethyl)-propionamide
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| Structure |
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| Formula |
C23H29N7O3
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| Molecular Weight |
451.531
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| Canonical SMILES |
NCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
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| InChI |
InChI=1S/C23H29N7O3/c24-8-7-20(31)25-10-11-28-12-14-29(15-13-28)16-21(32)30-19-6-2-1-4-17(19)23(33)27-18-5-3-9-26-22(18)30/h1-6,9H,7-8,10-16,24H2,(H,25,31)(H,27,33)
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| InChIKey |
URPRZVNWSJHUNH-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