General Information of the Compound
| Compound ID |
CP0859813
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| Compound Name |
(E)-2-cyano-3-(4-(diisobutylamino)-2-methoxyphenyl)acrylic acid
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| Structure |
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| Formula |
C19H26N2O3
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| Molecular Weight |
330.428
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| Canonical SMILES |
COc1cc(N(CC(C)C)CC(C)C)ccc1/C=C(\C#N)C(=O)O
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| InChI |
InChI=1S/C19H26N2O3/c1-13(2)11-21(12-14(3)4)17-7-6-15(18(9-17)24-5)8-16(10-20)19(22)23/h6-9,13-14H,11-12H2,1-5H3,(H,22,23)/b16-8+
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| InChIKey |
AZQDXDSMYKUVFI-LZYBPNLTSA-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