General Information of the Compound
| Compound ID |
CP0380923
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| Compound Name |
(Z)-1-(6-hydroxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)octadec-9-en-1-one
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| Structure |
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| Formula |
C29H44N2O2
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| Molecular Weight |
452.683
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| Canonical SMILES |
CCCCCCCC\C=C/CCCCCCCC(=O)N1CCc2c(C1)[nH]c1ccc(O)cc21
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| InChI |
InChI=1S/C29H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-29(33)31-21-20-25-26-22-24(32)18-19-27(26)30-28(25)23-31/h9-10,18-19,22,30,32H,2-8,11-17,20-21,23H2,1H3/b10-9-
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| InChIKey |
WAUQCMVPPHRPSG-KTKRTIGZSA-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