General Information of the Compound
| Compound ID |
CP0399408
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| Compound Name |
(2S)-2-[[(2R)-2-amino-3-[(2R)-3-[2-[3-[2-(2-ethoxyethoxy)ethoxy]propylamino]acetyl]oxy-2-hexadecanoyloxypropyl]sulfanylpropanoyl]amino]-3-hydroxypropanoic acid
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| Structure |
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| Formula |
C36H69N3O11S
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| Molecular Weight |
752.025
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| Canonical SMILES |
CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CNCCCOCCOCCOCC)CSC[C@H](N)C(=O)N[C@@H](CO)C(O)=O
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| InChI |
InChI=1S/C36H69N3O11S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-33(41)50-30(28-51-29-31(37)35(43)39-32(26-40)36(44)45)27-49-34(42)25-38-19-17-20-47-23-24-48-22-21-46-4-2/h30-32,38,40H,3-29,37H2,1-2H3,(H,39,43)(H,44,45)/t30-,31+,32+/m1/s1
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| InChIKey |
QORAYKWOIWEGEG-RTOKGZNSSA-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