General Information of the Compound
| Compound ID |
CP0558754
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| Compound Name |
N'-[5-chloro-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 |
C21H23ClN4
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| Molecular Weight |
366.896
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| Canonical SMILES |
NCCNc1cc(nc2cccc(Cl)c12)N1CCCc2ccccc2C1
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| InChI |
InChI=1S/C21H23ClN4/c22-17-8-3-9-18-21(17)19(24-11-10-23)13-20(25-18)26-12-4-7-15-5-1-2-6-16(15)14-26/h1-3,5-6,8-9,13H,4,7,10-12,14,23H2,(H,24,25)
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| InChIKey |
WEFBASFWUAXVSU-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