General Information of the Compound
| Compound ID |
CP0387707
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| Compound Name |
[(2R)-2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]propyl] (2S)-3-(4-benzoylphenyl)-2-(hex-5-ynoylamino)propanoate
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| Structure |
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| Formula |
C45H58N2O5
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| Molecular Weight |
706.968
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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)[C@H](Cc1ccc(cc1)C(=O)c1ccccc1)NC(=O)CCCC#C
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| InChI |
InChI=1S/C45H58N2O5/c1-4-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-30-42(48)46-37(3)36-52-45(51)41(47-43(49)29-23-7-5-2)35-38-31-33-40(34-32-38)44(50)39-27-24-22-25-28-39/h2,10-11,13-14,16-17,19-20,22,24-25,27-28,31-34,37,41H,4,6-9,12,15,18,21,23,26,29-30,35-36H2,1,3H3,(H,46,48)(H,47,49)/b11-10-,14-13-,17-16-,20-19-/t37-,41+/m1/s1
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| InChIKey |
UXURBARGIFREAQ-XHSRFYJISA-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