General Information of the Compound
| Compound ID |
CP0507375
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| Compound Name |
(2S)-5-[2,3-di(tetradecoxy)propylamino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoic acid;hydrochloride
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| Formula |
C51H83ClN2O7
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| Molecular Weight |
871.685
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| Canonical SMILES |
Cl.CCCCCCCCCCCCCCOCC(CNC(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(O)=O)OCCCCCCCCCCCCCC
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| InChI |
InChI=1S/C51H82N2O7.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-29-37-58-40-42(59-38-30-24-22-20-18-16-14-12-10-8-6-4-2)39-52-49(54)36-35-48(50(55)56)53-51(57)60-41-47-45-33-27-25-31-43(45)44-32-26-28-34-46(44)47;/h25-28,31-34,42,47-48H,3-24,29-30,35-41H2,1-2H3,(H,52,54)(H,53,57)(H,55,56);1H/t42?,48-;/m0./s1
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| InChIKey |
VUYOPQQDOWYVNL-MXXQITSTSA-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