General Information of the Compound
| Compound ID |
CP0506557
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| Compound Name |
4-[5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-ylmethylsulfonyl)pyridin-2-yl]benzonitrile
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| Structure |
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| Formula |
C23H21N3O2S
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| Molecular Weight |
403.507
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| Canonical SMILES |
O=S(=O)(Cc1ccc2CCNCCc2c1)c1ccc(nc1)-c1ccc(cc1)C#N
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| InChI |
InChI=1S/C23H21N3O2S/c24-14-17-1-5-20(6-2-17)23-8-7-22(15-26-23)29(27,28)16-18-3-4-19-9-11-25-12-10-21(19)13-18/h1-8,13,15,25H,9-12,16H2
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| InChIKey |
FMCJDOXISSESTF-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