General Information of the Compound
| Compound ID |
CP0335156
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| Compound Name |
3-Methoxymethoxy-propynoic acid [4-(3-bromo-phenylamino)-3-cyano-quinolin-6-yl]-amide
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| Structure |
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| Formula |
C22H17BrN4O3
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| Molecular Weight |
465.307
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| Canonical SMILES |
COCOCC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1
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| InChI |
InChI=1S/C22H17BrN4O3/c1-29-14-30-9-3-6-21(28)26-18-7-8-20-19(11-18)22(15(12-24)13-25-20)27-17-5-2-4-16(23)10-17/h2,4-5,7-8,10-11,13H,9,14H2,1H3,(H,25,27)(H,26,28)
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| InChIKey |
KBBWAZYDYIKZBH-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