General Information of the Compound
| Compound ID |
CP0533788
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| Compound Name |
3-chloro-6-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)-8-fluoro-11H-benzo[b][1,4]benzodiazepine
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| Formula |
C20H19ClFN3
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| Molecular Weight |
355.844
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| Canonical SMILES |
CCN1CCC(=CC1)C1=Nc2cc(Cl)ccc2Nc2ccc(F)cc12
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| InChI |
InChI=1S/C20H19ClFN3/c1-2-25-9-7-13(8-10-25)20-16-12-15(22)4-6-17(16)23-18-5-3-14(21)11-19(18)24-20/h3-7,11-12,23H,2,8-10H2,1H3
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| InChIKey |
RDWKGBNMMQPPNN-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: PT01005, D(2) dopamine receptor
Protein ID: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01156, Muscarinic acetylcholine receptor M4