General Information of the Compound
| Compound ID |
CP0450960
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| Compound Name |
8-fluoro-3-methyl-6-(1,2,3,6-tetrahydropyridin-4-yl)-11H-benzo[b][1,4]benzodiazepine
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| Structure |
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| Formula |
C19H18FN3
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| Molecular Weight |
307.372
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| Canonical SMILES |
Cc1ccc2Nc3ccc(F)cc3C(=Nc2c1)C1=CCNCC1
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| InChI |
InChI=1S/C19H18FN3/c1-12-2-4-17-18(10-12)23-19(13-6-8-21-9-7-13)15-11-14(20)3-5-16(15)22-17/h2-6,10-11,21-22H,7-9H2,1H3
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| InChIKey |
NZTNTJJXYHMEGN-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: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT01156, Muscarinic acetylcholine receptor M4