General Information of the Compound
| Compound ID |
CP0412421
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| Compound Name |
6-chloro-7-nitro-2,3,4,5-tetrahydro-1H-3-benzazepine
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| Structure |
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| Formula |
C10H11ClN2O2
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| Molecular Weight |
226.663
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| Canonical SMILES |
[O-][N+](=O)c1ccc2CCNCCc2c1Cl
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| InChI |
InChI=1S/C10H11ClN2O2/c11-10-8-4-6-12-5-3-7(8)1-2-9(10)13(14)15/h1-2,12H,3-6H2
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| InChIKey |
NDFYZOYUHRVRJQ-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C