General Information of the Compound
| Compound ID |
CP0406331
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| Compound Name |
(2S)-2-amino-3-[3-dodecanoyloxypropoxy(hydroxy)phosphoryl]oxypropanoic acid
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| Structure |
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| Formula |
C18H36NO8P
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| Molecular Weight |
425.459
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| Canonical SMILES |
CCCCCCCCCCCC(=O)OCCCOP(O)(=O)OC[C@H](N)C(O)=O
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| InChI |
InChI=1S/C18H36NO8P/c1-2-3-4-5-6-7-8-9-10-12-17(20)25-13-11-14-26-28(23,24)27-15-16(19)18(21)22/h16H,2-15,19H2,1H3,(H,21,22)(H,23,24)/t16-/m0/s1
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| InChIKey |
WRZKQHFSPIARQF-INIZCTEOSA-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