General Information of the Compound
| Compound ID |
CP0378954
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| Compound Name |
N-benzyl-6,9-dimethoxy-N-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-sulfonamide
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| Structure |
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| Formula |
C20H26N2O4S
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| Molecular Weight |
390.505
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| Canonical SMILES |
COc1cc(c(OC)c2CCNCCc12)S(=O)(=O)N(C)Cc1ccccc1
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| InChI |
InChI=1S/C20H26N2O4S/c1-22(14-15-7-5-4-6-8-15)27(23,24)19-13-18(25-2)16-9-11-21-12-10-17(16)20(19)26-3/h4-8,13,21H,9-12,14H2,1-3H3
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| InChIKey |
QQMIIWZERKKDBK-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