General Information of the Compound
| Compound ID |
CP0474103
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| Compound Name |
(E)-2-cyano-3-[1-(2-hydroxy-3-pyrrolidin-1-ylpropyl)-2-methylindol-3-yl]-N-octylprop-2-enamide
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| Structure |
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| Formula |
C28H40N4O2
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| Molecular Weight |
464.654
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| Canonical SMILES |
CCCCCCCCNC(=O)C(=C\c1c(C)n(CC(O)CN2CCCC2)c2ccccc12)\C#N
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| InChI |
InChI=1S/C28H40N4O2/c1-3-4-5-6-7-10-15-30-28(34)23(19-29)18-26-22(2)32(27-14-9-8-13-25(26)27)21-24(33)20-31-16-11-12-17-31/h8-9,13-14,18,24,33H,3-7,10-12,15-17,20-21H2,1-2H3,(H,30,34)/b23-18+
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| InChIKey |
DQHIJWOMMVYHCW-PTGBLXJZSA-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