General Information of the Compound
| Compound ID |
CP0463781
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| Compound Name |
8-Chloro-6-(4-cyclohexyl-piperazin-1-yl)-11H-benzo[e]pyrido[3,2-b][1,4]diazepine
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| Structure |
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| Formula |
C22H26ClN5
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| Molecular Weight |
395.938
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| Canonical SMILES |
Clc1ccc2Nc3ncccc3N=C(N3CCN(CC3)C3CCCCC3)c2c1
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| InChI |
InChI=1S/C22H26ClN5/c23-16-8-9-19-18(15-16)22(26-20-7-4-10-24-21(20)25-19)28-13-11-27(12-14-28)17-5-2-1-3-6-17/h4,7-10,15,17H,1-3,5-6,11-14H2,(H,24,25)
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| InChIKey |
YQKVPKZIEDUDMI-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