General Information of the Compound
| Compound ID |
CP0427351
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| Compound Name |
4-[2-Oxo-2-(6-oxo-5,6-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-11-yl)-ethyl]-piperazine-1-carbothioic acid phenylamide
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| Structure |
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| Formula |
C25H24N6O2S
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| Molecular Weight |
472.574
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| Canonical SMILES |
O=C(CN1CCN(CC1)C(=S)Nc1ccccc1)N1c2ccccc2C(=O)Nc2cccnc12
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| InChI |
InChI=1S/C25H24N6O2S/c32-22(17-29-13-15-30(16-14-29)25(34)27-18-7-2-1-3-8-18)31-21-11-5-4-9-19(21)24(33)28-20-10-6-12-26-23(20)31/h1-12H,13-17H2,(H,27,34)(H,28,33)
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| InChIKey |
HYJMOLTXBOXNCT-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