General Information of the Compound
| Compound ID |
CP0472255
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| Compound Name |
9-(tert-Butyl-dimethyl-silanyloxymethyl)-11-[2-(4-methyl-piperazin-1-yl)-acetyl]-5,11-dihydro-benzo[e]pyrido[3,2-b][1,4]diazepin-6-one
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| Structure |
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| Formula |
C26H37N5O3Si
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| Molecular Weight |
495.7
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| Canonical SMILES |
CN1CCN(CC(=O)N2c3cc(CO[Si](C)(C)C(C)(C)C)ccc3C(=O)Nc3cccnc23)CC1
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| InChI |
InChI=1S/C26H37N5O3Si/c1-26(2,3)35(5,6)34-18-19-9-10-20-22(16-19)31(23(32)17-30-14-12-29(4)13-15-30)24-21(28-25(20)33)8-7-11-27-24/h7-11,16H,12-15,17-18H2,1-6H3,(H,28,33)
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| InChIKey |
YNNOCMHREAIPCG-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