General Information of the Compound
| Compound ID |
CP0384095
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| Compound Name |
7-[(4-tert-butylphenyl)sulfonylmethyl]-2,3,4,5-tetrahydro-1H-3-benzazepine
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| Structure |
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| Formula |
C21H27NO2S
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| Molecular Weight |
357.519
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)S(=O)(=O)Cc1ccc2CCNCCc2c1
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| InChI |
InChI=1S/C21H27NO2S/c1-21(2,3)19-6-8-20(9-7-19)25(23,24)15-16-4-5-17-10-12-22-13-11-18(17)14-16/h4-9,14,22H,10-13,15H2,1-3H3
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| InChIKey |
VSEFZWVBYMRIEE-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