General Information of the Compound
| Compound ID |
CP0421341
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| Compound Name |
(8-Benzyl-8-aza-bicyclo[3.2.1]oct-3-yl)-(8-chloro-11H-benzo[e]pyrido[3,2-b][1,4]diazepin-6-yl)-amine
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| Structure |
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| Formula |
C26H26ClN5
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| Molecular Weight |
443.982
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| Canonical SMILES |
Clc1ccc2Nc3ncccc3N=C(NC3CC4CCC(C3)N4Cc3ccccc3)c2c1
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| InChI |
InChI=1S/C26H26ClN5/c27-18-8-11-23-22(13-18)25(31-24-7-4-12-28-26(24)30-23)29-19-14-20-9-10-21(15-19)32(20)16-17-5-2-1-3-6-17/h1-8,11-13,19-21H,9-10,14-16H2,(H,28,30)(H,29,31)
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| InChIKey |
JQCALUODVNXQRL-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