General Information of the Compound
| Compound ID |
CP0578364
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| Compound Name |
(Z)-4-[cyanomethyl(tetradecyl)amino]-4-oxobut-2-enoic acid
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| Structure |
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| Formula |
C20H34N2O3
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| Molecular Weight |
350.503
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| Canonical SMILES |
CCCCCCCCCCCCCCN(CC#N)C(=O)\C=C/C(O)=O
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| InChI |
InChI=1S/C20H34N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22(18-16-21)19(23)14-15-20(24)25/h14-15H,2-13,17-18H2,1H3,(H,24,25)/b15-14-
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| InChIKey |
PVIGNGPOZZVVTQ-PFONDFGASA-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