General Information of the Compound
| Compound ID |
CP0414052
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| Compound Name |
(5Z,8Z,11Z,14Z)-1-(6-hydroxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)icosa-5,8,11,14-tetraen-1-one
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| Structure |
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| Formula |
C31H42N2O2
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| Molecular Weight |
474.689
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| Canonical SMILES |
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N1CCc2c(C1)[nH]c1ccc(O)cc21
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| InChI |
InChI=1S/C31H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-31(35)33-23-22-27-28-24-26(34)20-21-29(28)32-30(27)25-33/h6-7,9-10,12-13,15-16,20-21,24,32,34H,2-5,8,11,14,17-19,22-23,25H2,1H3/b7-6-,10-9-,13-12-,16-15-
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| InChIKey |
LWDQBCXSBWLKRA-DOFZRALJSA-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
Protein ID: PT02148, Transient receptor potential cation channel subfamily A member 1
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1