General Information of the Compound
| Compound ID |
CP0373310
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| Compound Name |
6-chloro-3-methyl-7-nitro-1,2,4,5-tetrahydro-3-benzazepine
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| Structure |
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| Formula |
C11H13ClN2O2
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| Molecular Weight |
240.69
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| Canonical SMILES |
CN1CCc2ccc(c(Cl)c2CC1)[N+]([O-])=O
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| InChI |
InChI=1S/C11H13ClN2O2/c1-13-6-4-8-2-3-10(14(15)16)11(12)9(8)5-7-13/h2-3H,4-7H2,1H3
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| InChIKey |
ROKNURNBPSXKMO-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