General Information of the Compound
| Compound ID |
CP0405727
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| Compound Name |
(5Z,8Z,11Z,13S,14Z)-N-cyclopropyl-20-isothiocyanato-13-methylicosa-5,8,11,14-tetraenamide
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| Structure |
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| Formula |
C25H38N2OS
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| Molecular Weight |
414.659
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| Canonical SMILES |
C[C@@H](\C=C/CCCCCN=C=S)\C=C/C\C=C/C\C=C/CCCC(=O)NC1CC1
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| InChI |
InChI=1S/C25H38N2OS/c1-23(17-13-9-7-11-15-21-26-22-29)16-12-8-5-3-2-4-6-10-14-18-25(28)27-24-19-20-24/h3-6,12-13,16-17,23-24H,2,7-11,14-15,18-21H2,1H3,(H,27,28)/b5-3-,6-4-,16-12-,17-13-/t23-/m1/s1
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| InChIKey |
BARJBEHYTMHBBK-ZUIPPAGJSA-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: PT00834, Cannabinoid receptor 2
Protein ID: PT01998, Cannabinoid receptor 2