General Information of the Compound
| Compound ID |
CP0450598
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| Compound Name |
(2S,3S)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-[3-(3-undecoxyphenyl)propanoylamino]propoxy]phosphoryl]oxybutanoic acid
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| Structure |
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| Formula |
C27H47N2O9P
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| Molecular Weight |
574.652
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| Canonical SMILES |
CCCCCCCCCCCOc1cccc(CCC(=O)NC[C@@H](O)COP(O)(=O)O[C@@H](C)[C@H](N)C(O)=O)c1
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| InChI |
InChI=1S/C27H47N2O9P/c1-3-4-5-6-7-8-9-10-11-17-36-24-14-12-13-22(18-24)15-16-25(31)29-19-23(30)20-37-39(34,35)38-21(2)26(28)27(32)33/h12-14,18,21,23,26,30H,3-11,15-17,19-20,28H2,1-2H3,(H,29,31)(H,32,33)(H,34,35)/t21-,23+,26-/m0/s1
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| InChIKey |
ZKEGUZOMPQPJEE-SYVJQLTCSA-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