General Information of the Compound
| Compound ID |
CP0421335
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| Compound Name |
6-(4-Benzyl-piperazin-1-yl)-8-chloro-11H-benzo[e]pyrido[3,2-b][1,4]diazepine
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| Structure |
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| Formula |
C23H22ClN5
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| Molecular Weight |
403.917
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| Canonical SMILES |
Clc1ccc2Nc3ncccc3N=C(N3CCN(Cc4ccccc4)CC3)c2c1
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| InChI |
InChI=1S/C23H22ClN5/c24-18-8-9-20-19(15-18)23(27-21-7-4-10-25-22(21)26-20)29-13-11-28(12-14-29)16-17-5-2-1-3-6-17/h1-10,15H,11-14,16H2,(H,25,26)
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| InChIKey |
MVUVSHXUPTVDBC-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