General Information of the Compound
| Compound ID |
CP0429414
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| Compound Name |
N'-[6-methylsulfonyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)quinolin-4-yl]ethane-1,2-diamine
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| Structure |
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| Formula |
C22H26N4O2S
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| Molecular Weight |
410.543
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| Canonical SMILES |
CS(=O)(=O)c1ccc2nc(cc(NCCN)c2c1)N1CCCc2ccccc2C1
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| InChI |
InChI=1S/C22H26N4O2S/c1-29(27,28)18-8-9-20-19(13-18)21(24-11-10-23)14-22(25-20)26-12-4-7-16-5-2-3-6-17(16)15-26/h2-3,5-6,8-9,13-14H,4,7,10-12,15,23H2,1H3,(H,24,25)
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| InChIKey |
LHXHVPXCIFGFFK-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