General Information of the Compound
| Compound ID |
CP0521852
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| Compound Name |
[(2R)-2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]propyl] hex-5-ynoate
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| Structure |
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| Formula |
C29H45NO3
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| Molecular Weight |
455.683
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| Canonical SMILES |
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)N[C@H](C)COC(=O)CCCC#C
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| InChI |
InChI=1S/C29H45NO3/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23-24-28(31)30-27(3)26-33-29(32)25-22-7-5-2/h2,10-11,13-14,16-17,19-20,27H,4,6-9,12,15,18,21-26H2,1,3H3,(H,30,31)/b11-10-,14-13-,17-16-,20-19-/t27-/m1/s1
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| InChIKey |
CMNGMIJTLSOYJY-YNBBOVHRSA-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2