General Information of the Compound
| Compound ID |
CP0450964
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| Compound Name |
8-ethyl-3-methyl-6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-11H-benzo[b][1,4]benzodiazepine
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| Formula |
C22H25N3
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| Molecular Weight |
331.463
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| Canonical SMILES |
CCc1ccc2Nc3ccc(C)cc3N=C(C3=CCN(C)CC3)c2c1
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| InChI |
InChI=1S/C22H25N3/c1-4-16-6-8-19-18(14-16)22(17-9-11-25(3)12-10-17)24-21-13-15(2)5-7-20(21)23-19/h5-9,13-14,23H,4,10-12H2,1-3H3
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| InChIKey |
IWMPNKVRIUOVNY-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: PT01156, Muscarinic acetylcholine receptor M4