General Information of the Compound
| Compound ID |
CP0128076
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| Compound Name |
8-Chloro-11-piperazin-1-yl-5H-dibenzo[b,e][1,4]diazepine
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| Synonyms |
N-DESMETHYLCLOZAPINE
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| Structure |
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| Formula |
C17H17ClN4
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| Molecular Weight |
312.804
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| Canonical SMILES |
Clc1ccc2Nc3ccccc3C(=Nc2c1)N1CCNCC1
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| InChI |
InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2
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| InChIKey |
JNNOSTQEZICQQP-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: PT01195, D(1A) dopamine receptor
Protein ID: PT01005, D(2) dopamine receptor
Protein ID: PT01310, Muscarinic acetylcholine receptor M1
Cell-based Assay
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3
Protein ID: PT01156, Muscarinic acetylcholine receptor M4
Protein ID: PT01516, Muscarinic acetylcholine receptor M5
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
Clinical Information about the Compound