General Information of the Compound
| Compound ID |
CP0500286
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| Compound Name |
8-Chloro-6-(4-methyl-piperazin-1-yl)-11H-benzo[e]pyrido[3,2-b][1,4]diazepine
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| Structure |
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| Formula |
C17H18ClN5
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| Molecular Weight |
327.819
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| Canonical SMILES |
CN1CCN(CC1)C1=Nc2cccnc2Nc2ccc(Cl)cc12
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| InChI |
InChI=1S/C17H18ClN5/c1-22-7-9-23(10-8-22)17-13-11-12(18)4-5-14(13)20-16-15(21-17)3-2-6-19-16/h2-6,11H,7-10H2,1H3,(H,19,20)
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| InChIKey |
QTPHXTPUQBAPOK-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