General Information of the Compound
| Compound ID |
CP0537850
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| Compound Name |
(2R)-N-[2,3-di(tetradecoxy)propyl]pyrrolidine-2-carboxamide;hydrochloride
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| Structure |
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| Formula |
C36H73ClN2O3
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| Molecular Weight |
617.444
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| Canonical SMILES |
Cl.CCCCCCCCCCCCCCOCC(CNC(=O)[C@H]1CCCN1)OCCCCCCCCCCCCCC
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| InChI |
InChI=1S/C36H72N2O3.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-40-33-34(32-38-36(39)35-28-27-29-37-35)41-31-26-24-22-20-18-16-14-12-10-8-6-4-2;/h34-35,37H,3-33H2,1-2H3,(H,38,39);1H/t34?,35-;/m1./s1
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| InChIKey |
JAQIYHHIODKRPM-RKXZMHEPSA-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: PT04438, Toll-like receptor 2
Protein ID: PT02347, Tumor necrosis factor