General Information of the Compound
| Compound ID |
CP0383623
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| Compound Name |
8-Methyl-6-(4-methyl-piperazin-1-yl)-11H-benzo[e]pyrido[3,2-b][1,4]diazepine
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| Synonyms |
JL-18
NCGC00094013-01
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| Structure |
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| Formula |
C18H21N5
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| Molecular Weight |
307.401
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| Canonical SMILES |
CN1CCN(CC1)C1=Nc2cccnc2Nc2ccc(C)cc12
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| InChI |
InChI=1S/C18H21N5/c1-13-5-6-15-14(12-13)18(23-10-8-22(2)9-11-23)21-16-4-3-7-19-17(16)20-15/h3-7,12H,8-11H2,1-2H3,(H,19,20)
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| InChIKey |
MMCMKWDIEUZMQB-UHFFFAOYSA-N
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| CAS |
147395-65-1
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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
Clinical Information about the Compound