General Information of the Compound
| Compound ID |
CP0315086
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| Compound Name |
3-chloro-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-11H-benzo[b][1,4]benzodiazepine
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| Structure |
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| Formula |
C19H18ClN3
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| Molecular Weight |
323.827
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| Canonical SMILES |
CN1CCC(=CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12
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| InChI |
InChI=1S/C19H18ClN3/c1-23-10-8-13(9-11-23)19-15-4-2-3-5-16(15)21-17-7-6-14(20)12-18(17)22-19/h2-8,12,21H,9-11H2,1H3
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| InChIKey |
CITBEZAJPJRZNL-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT01156, Muscarinic acetylcholine receptor M4