General Information of the Compound
| Compound ID |
CP0177915
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| Compound Name |
4-Dipropylamino-but-2-ynoic acid [4-(3-bromo-phenylamino)-3-cyano-quinolin-6-yl]-amide
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| Structure |
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| Formula |
C26H26BrN5O
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| Molecular Weight |
504.432
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| Canonical SMILES |
CCCN(CCC)CC#CC(=O)Nc1ccc2ncc(C#N)c(Nc3cccc(Br)c3)c2c1
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| InChI |
InChI=1S/C26H26BrN5O/c1-3-12-32(13-4-2)14-6-9-25(33)30-22-10-11-24-23(16-22)26(19(17-28)18-29-24)31-21-8-5-7-20(27)15-21/h5,7-8,10-11,15-16,18H,3-4,12-14H2,1-2H3,(H,29,31)(H,30,33)
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| InChIKey |
NYRBHASTRFCNHY-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