General Information of the Compound
| Compound ID |
CP0420417
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| Compound Name |
(2S,3S)-2-amino-3-[[(2R)-3-dodecanoyloxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxybutanoic acid
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| Structure |
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| Formula |
C19H38NO9P
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| Molecular Weight |
455.485
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| Canonical SMILES |
CCCCCCCCCCCC(=O)OC[C@@H](O)COP(O)(=O)O[C@@H](C)[C@H](N)C(O)=O
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| InChI |
InChI=1S/C19H38NO9P/c1-3-4-5-6-7-8-9-10-11-12-17(22)27-13-16(21)14-28-30(25,26)29-15(2)18(20)19(23)24/h15-16,18,21H,3-14,20H2,1-2H3,(H,23,24)(H,25,26)/t15-,16+,18-/m0/s1
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| InChIKey |
JWECPZKJJBLTTR-JZXOWHBKSA-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