General Information of the Compound
| Compound ID |
CP0391379
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| Compound Name |
4-Acetylamino-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 |
C26H33N7O4
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| Molecular Weight |
507.595
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| Canonical SMILES |
CC(=O)NCCCC(=O)NCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc23)CC1
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| InChI |
InChI=1S/C26H33N7O4/c1-19(34)27-10-5-9-23(35)28-12-13-31-14-16-32(17-15-31)18-24(36)33-22-8-3-2-6-20(22)26(37)30-21-7-4-11-29-25(21)33/h2-4,6-8,11H,5,9-10,12-18H2,1H3,(H,27,34)(H,28,35)(H,30,37)
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| InChIKey |
LTTBYTFVGSSGEF-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