General Information of the Compound
| Compound ID |
CP0193403
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| Compound Name |
But-2-ynoic acid [4-(3-bromo-phenylamino)-3-cyano-quinolin-6-yl]-amide
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| Structure |
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| Formula |
C20H13BrN4O
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| Molecular Weight |
405.255
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| Canonical SMILES |
CC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1
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| InChI |
InChI=1S/C20H13BrN4O/c1-2-4-19(26)24-16-7-8-18-17(10-16)20(13(11-22)12-23-18)25-15-6-3-5-14(21)9-15/h3,5-10,12H,1H3,(H,23,25)(H,24,26)
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| InChIKey |
PBDJWRUCRSLDEM-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