General Information of the Compound
| Compound ID |
CP0528800
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| Compound Name |
N-[4-(3-bromoanilino)-3-cyanoquinolin-6-yl]-4-(dicyclopropylamino)but-2-ynamide
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| Structure |
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| Formula |
C26H22BrN5O
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| Molecular Weight |
500.4
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| Canonical SMILES |
Brc1cccc(Nc2c(cnc3ccc(NC(=O)C#CCN(C4CC4)C4CC4)cc23)C#N)c1
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| InChI |
InChI=1S/C26H22BrN5O/c27-18-3-1-4-19(13-18)31-26-17(15-28)16-29-24-11-6-20(14-23(24)26)30-25(33)5-2-12-32(21-7-8-21)22-9-10-22/h1,3-4,6,11,13-14,16,21-22H,7-10,12H2,(H,29,31)(H,30,33)
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| InChIKey |
QNVUBJWWBBKDIS-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