General Information of the Compound
| Compound ID |
CP0475439
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| Compound Name |
[(2R)-3-[(2R)-2-amino-3-oxo-3-[(2-oxo-2-propan-2-yloxyethyl)amino]propyl]sulfanyl-2-hexadecanoyloxypropyl] hexadecanoate
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| Structure |
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| Formula |
C43H82N2O7S
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| Molecular Weight |
771.203
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| Canonical SMILES |
CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](N)C(=O)NCC(=O)OC(C)C)OC(=O)CCCCCCCCCCCCCCC
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| InChI |
InChI=1S/C43H82N2O7S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-40(46)50-34-38(35-53-36-39(44)43(49)45-33-42(48)51-37(3)4)52-41(47)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h37-39H,5-36,44H2,1-4H3,(H,45,49)/t38-,39+/m1/s1
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| InChIKey |
CUASLCBQDHQLQA-RGULYWFUSA-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