General Information of the Compound
| Compound ID |
CP0399996
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| Compound Name |
4-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)-butyramide
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| Structure |
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| Formula |
C24H31N7O3
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| Molecular Weight |
465.558
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| Canonical SMILES |
NCCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
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| InChI |
InChI=1S/C24H31N7O3/c25-9-3-8-21(32)26-11-12-29-13-15-30(16-14-29)17-22(33)31-20-7-2-1-5-18(20)24(34)28-19-6-4-10-27-23(19)31/h1-2,4-7,10H,3,8-9,11-17,25H2,(H,26,32)(H,28,34)
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| InChIKey |
AINOAUBSOCDMCN-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