General Information of the Compound
| Compound ID |
CP0451977
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| Compound Name |
[(5Z,8Z,11Z,14Z)-19-(cyclopropylamino)-19-oxononadeca-5,8,11,14-tetraenyl] 6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoate
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| Structure |
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| Formula |
C38H60N4O5S
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| Molecular Weight |
684.988
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| Canonical SMILES |
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCCCCC(=O)OCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NC1CC1
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| InChI |
InChI=1S/C38H60N4O5S/c43-34(23-19-18-22-33-37-32(30-48-33)41-38(46)42-37)39-28-20-15-17-25-36(45)47-29-21-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-24-35(44)40-31-26-27-31/h2-5,8-11,31-33,37H,1,6-7,12-30H2,(H,39,43)(H,40,44)(H2,41,42,46)/b4-2-,5-3-,10-8-,11-9-/t32-,33-,37-/m0/s1
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| InChIKey |
QOTAUZLULHXTFX-AWJHAJMOSA-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