General Information of the Compound
| Compound ID |
CP0515182
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| Compound Name |
(6Z,9Z,12Z)-octadeca-6,9,12-trien-1-yl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
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| Structure |
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| Formula |
C29H42N2O3
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| Molecular Weight |
466.666
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| Canonical SMILES |
CCCCC\C=C/C\C=C/C\C=C/CCCCCOC(=O)NCCc1c[nH]c2ccc(O)cc12
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| InChI |
InChI=1S/C29H42N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-34-29(33)30-21-20-25-24-31-28-19-18-26(32)23-27(25)28/h6-7,9-10,12-13,18-19,23-24,31-32H,2-5,8,11,14-17,20-22H2,1H3,(H,30,33)/b7-6-,10-9-,13-12-
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| InChIKey |
XLDRFZQJNBBTGL-QNEBEIHSSA-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