General Information of the Compound
| Compound ID |
CP0208298
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| Compound Name |
7-[[4-(4-chlorophenyl)phenyl]sulfonylmethyl]-2,3,4,5-tetrahydro-1H-3-benzazepine
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| Structure |
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| Formula |
C23H22ClNO2S
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| Molecular Weight |
411.954
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| Canonical SMILES |
Clc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)Cc1ccc2CCNCCc2c1
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| InChI |
InChI=1S/C23H22ClNO2S/c24-22-7-3-18(4-8-22)19-5-9-23(10-6-19)28(26,27)16-17-1-2-20-11-13-25-14-12-21(20)15-17/h1-10,15,25H,11-14,16H2
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| InChIKey |
AXDSJPSPYMTGDH-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