General Information of the Compound
| Compound ID |
CP0399046
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| Compound Name |
N,N-dimethyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide
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| Structure |
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| Formula |
C12H18N2O2S
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| Molecular Weight |
254.355
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| Canonical SMILES |
CN(C)S(=O)(=O)c1ccc2CCNCCc2c1
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| InChI |
InChI=1S/C12H18N2O2S/c1-14(2)17(15,16)12-4-3-10-5-7-13-8-6-11(10)9-12/h3-4,9,13H,5-8H2,1-2H3
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| InChIKey |
YULQTSGYQANQLP-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