General Information of the Compound
| Compound ID |
CP0495450
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| Compound Name |
[(2R)-3-[(2R)-2-amino-3-oxo-3-[(2-oxo-2-propan-2-yloxyethyl)amino]propyl]sulfanyl-2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate
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| Structure |
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| Formula |
C47H82N2O7S
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| Molecular Weight |
819.247
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| Canonical SMILES |
CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](CSC[C@H](N)C(=O)NCC(=O)OC(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC
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| InChI |
InChI=1S/C47H82N2O7S/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-44(50)54-38-42(39-57-40-43(48)47(53)49-37-46(52)55-41(3)4)56-45(51)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h13-16,19-22,41-43H,5-12,17-18,23-40,48H2,1-4H3,(H,49,53)/b15-13-,16-14-,21-19-,22-20-/t42-,43+/m1/s1
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| InChIKey |
ZIJJQGPQSLTPOR-JXCIPMFESA-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