General Information of the Compound
| Compound ID |
CP0519736
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| Compound Name |
(E)-2-cyano-3-[1-[3-(dimethylamino)-2-hydroxypropyl]indol-3-yl]-N-octylprop-2-enamide
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| Structure |
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| Formula |
C25H36N4O2
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| Molecular Weight |
424.589
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| Canonical SMILES |
CCCCCCCCNC(=O)C(=C\c1cn(CC(O)CN(C)C)c2ccccc12)\C#N
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| InChI |
InChI=1S/C25H36N4O2/c1-4-5-6-7-8-11-14-27-25(31)20(16-26)15-21-17-29(19-22(30)18-28(2)3)24-13-10-9-12-23(21)24/h9-10,12-13,15,17,22,30H,4-8,11,14,18-19H2,1-3H3,(H,27,31)/b20-15+
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| InChIKey |
HRFWBDGUUMUKRE-HMMYKYKNSA-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