General Information of the Compound
| Compound ID |
CP0551894
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| Compound Name |
3-chloro-8-fluoro-6-(1,2,3,6-tetrahydropyridin-4-yl)-11H-benzo[b][1,4]benzodiazepine
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| Structure |
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| Formula |
C18H15ClFN3
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| Molecular Weight |
327.79
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| Canonical SMILES |
Fc1ccc2Nc3ccc(Cl)cc3N=C(C3=CCNCC3)c2c1
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| InChI |
InChI=1S/C18H15ClFN3/c19-12-1-3-16-17(9-12)23-18(11-5-7-21-8-6-11)14-10-13(20)2-4-15(14)22-16/h1-5,9-10,21-22H,6-8H2
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| InChIKey |
VMCOQPDINSDQFU-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: 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