General Information of the Compound
| Compound ID |
CP0448450
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| Compound Name |
8-Chloro-6-(4-phenethyl-piperazin-1-yl)-11H-benzo[e]pyrido[3,2-b][1,4]diazepine
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| Structure |
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| Formula |
C24H24ClN5
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| Molecular Weight |
417.944
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| Canonical SMILES |
Clc1ccc2Nc3ncccc3N=C(N3CCN(CCc4ccccc4)CC3)c2c1
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| InChI |
InChI=1S/C24H24ClN5/c25-19-8-9-21-20(17-19)24(28-22-7-4-11-26-23(22)27-21)30-15-13-29(14-16-30)12-10-18-5-2-1-3-6-18/h1-9,11,17H,10,12-16H2,(H,26,27)
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| InChIKey |
OGHDWFXSMLKLNB-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