General Information of the Compound
| Compound ID |
CP0418524
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| Compound Name |
9H-fluoren-9-ylmethyl N-[1-[2,3-di(tetradecoxy)propylamino]-1-oxo-3-piperidin-4-ylpropan-2-yl]carbamate;hydrochloride
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| Structure |
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| Formula |
C54H90ClN3O5
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| Molecular Weight |
896.783
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| Canonical SMILES |
Cl.CCCCCCCCCCCCCCOCC(CNC(=O)C(CC1CCNCC1)NC(=O)OCC1c2ccccc2-c2ccccc12)OCCCCCCCCCCCCCC
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| InChI |
InChI=1S/C54H89N3O5.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-29-39-60-43-46(61-40-30-24-22-20-18-16-14-12-10-8-6-4-2)42-56-53(58)52(41-45-35-37-55-38-36-45)57-54(59)62-44-51-49-33-27-25-31-47(49)48-32-26-28-34-50(48)51;/h25-28,31-34,45-46,51-52,55H,3-24,29-30,35-44H2,1-2H3,(H,56,58)(H,57,59);1H
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| InChIKey |
IEEFKBQIWHYNIP-UHFFFAOYSA-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