General Information of the Compound
| Compound ID |
CP0443635
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| Compound Name |
8-Chloro-6-(4-methyl-[1,4]diazepan-1-yl)-11H-benzo[e]pyrido[3,2-b][1,4]diazepine
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| Structure |
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| Formula |
C18H20ClN5
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| Molecular Weight |
341.846
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| Canonical SMILES |
CN1CCCN(CC1)C1=Nc2cccnc2Nc2ccc(Cl)cc12
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| InChI |
InChI=1S/C18H20ClN5/c1-23-8-3-9-24(11-10-23)18-14-12-13(19)5-6-15(14)21-17-16(22-18)4-2-7-20-17/h2,4-7,12H,3,8-11H2,1H3,(H,20,21)
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| InChIKey |
RZKQJXWTACJPMX-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: PT01161, D(4) dopamine receptor