General Information of the Compound
| Compound ID |
CP0403678
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| Compound Name |
2-(1-(3,7-dimethylocta-2,6-dienyl)-5-m-tolyl-1H-indol-3-yl)acetamide
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| Structure |
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| Formula |
C27H32N2O
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| Molecular Weight |
400.566
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| Canonical SMILES |
CC(C)=CCC\C(C)=C\Cn1cc(CC(N)=O)c2cc(ccc12)-c1cccc(C)c1
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| InChI |
InChI=1S/C27H32N2O/c1-19(2)7-5-8-20(3)13-14-29-18-24(17-27(28)30)25-16-23(11-12-26(25)29)22-10-6-9-21(4)15-22/h6-7,9-13,15-16,18H,5,8,14,17H2,1-4H3,(H2,28,30)/b20-13+
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| InChIKey |
LFENHTSOAKQXAX-DEDYPNTBSA-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