General Information of the Compound
| Compound ID |
CP0453131
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| Compound Name |
9-Hydroxymethyl-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 |
C20H23N5O3
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| Molecular Weight |
381.436
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| Canonical SMILES |
CN1CCN(CC(=O)N2c3cc(CO)ccc3C(=O)Nc3cccnc23)CC1
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| InChI |
InChI=1S/C20H23N5O3/c1-23-7-9-24(10-8-23)12-18(27)25-17-11-14(13-26)4-5-15(17)20(28)22-16-3-2-6-21-19(16)25/h2-6,11,26H,7-10,12-13H2,1H3,(H,22,28)
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| InChIKey |
YDADGOUJBVERAR-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