General Information of the Compound
| Compound ID |
CP0400466
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| Compound Name |
(2S)-2-[[(2R)-2-amino-3-[(2R)-2-hexadecanoyloxy-3-hydroxypropyl]sulfanylpropanoyl]amino]-3-hydroxypropanoic acid
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| Structure |
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| Formula |
C25H48N2O7S
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| Molecular Weight |
520.733
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| Canonical SMILES |
CCCCCCCCCCCCCCCC(=O)O[C@H](CO)CSC[C@H](N)C(=O)N[C@@H](CO)C(O)=O
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| InChI |
InChI=1S/C25H48N2O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23(30)34-20(16-28)18-35-19-21(26)24(31)27-22(17-29)25(32)33/h20-22,28-29H,2-19,26H2,1H3,(H,27,31)(H,32,33)/t20-,21+,22+/m1/s1
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| InChIKey |
BKWASELTCRREJK-FSSWDIPSSA-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