General Information of the Compound
| Compound ID |
CP0482404
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| Compound Name |
(E)-N-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
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| Structure |
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| Formula |
C26H30N4O
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| Molecular Weight |
414.553
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| Canonical SMILES |
CN(Cc1ccccc1NC(=O)\C=C\c1cnn(c1)-c1ccccc1)C1CCCCC1
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| InChI |
InChI=1S/C26H30N4O/c1-29(23-11-4-2-5-12-23)20-22-10-8-9-15-25(22)28-26(31)17-16-21-18-27-30(19-21)24-13-6-3-7-14-24/h3,6-10,13-19,23H,2,4-5,11-12,20H2,1H3,(H,28,31)/b17-16+
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| InChIKey |
LYDMAPBRYYUUGQ-WUKNDPDISA-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