General Information of the Compound
| Compound ID |
CP0381247
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| Compound Name |
N-(4-fluorophenyl)-5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylmethylsulfonyl)pyridine-2-carboxamide
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| Structure |
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| Formula |
C23H22FN3O3S
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| Molecular Weight |
439.512
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| Canonical SMILES |
Fc1ccc(NC(=O)c2ccc(cn2)S(=O)(=O)Cc2ccc3CCNCCc3c2)cc1
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| InChI |
InChI=1S/C23H22FN3O3S/c24-19-3-5-20(6-4-19)27-23(28)22-8-7-21(14-26-22)31(29,30)15-16-1-2-17-9-11-25-12-10-18(17)13-16/h1-8,13-14,25H,9-12,15H2,(H,27,28)
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| InChIKey |
XMZLAALFKXKNLF-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