General Information of the Compound
| Compound ID |
CP0388869
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| Compound Name |
(2S)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-[3-(4-pentadecoxyphenyl)propanoyloxy]propoxy]phosphoryl]oxypropanoic acid
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| Structure |
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| Formula |
C30H52NO10P
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| Molecular Weight |
617.717
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| Canonical SMILES |
CCCCCCCCCCCCCCCOc1ccc(CCC(=O)OC[C@@H](O)COP(O)(=O)OC[C@H](N)C(O)=O)cc1
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| InChI |
InChI=1S/C30H52NO10P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-38-27-18-15-25(16-19-27)17-20-29(33)39-22-26(32)23-40-42(36,37)41-24-28(31)30(34)35/h15-16,18-19,26,28,32H,2-14,17,20-24,31H2,1H3,(H,34,35)(H,36,37)/t26-,28+/m1/s1
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| InChIKey |
IBNSOXBZKPVHNZ-IAPPQJPRSA-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