General Information of the Compound
| Compound ID |
CP0419503
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| Compound Name |
[(3R)-1-[(2R)-3-[hydroxy-[2-[3-(4-hydroxyphenyl)propanoylamino]ethoxy]phosphoryl]oxy-2-(tetradecanoylamino)propoxy]decan-3-yl] dodecanoate
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| Structure |
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| Formula |
C50H91N2O10P
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| Molecular Weight |
911.256
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| Canonical SMILES |
CCCCCCCCCCCCCC(=O)N[C@H](COCC[C@@H](CCCCCCC)OC(=O)CCCCCCCCCCC)COP(O)(=O)OCCNC(=O)CCc1ccc(O)cc1
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| InChI |
InChI=1S/C50H91N2O10P/c1-4-7-10-13-15-17-18-20-21-24-27-30-49(55)52-45(43-61-63(57,58)60-41-39-51-48(54)37-34-44-32-35-46(53)36-33-44)42-59-40-38-47(29-26-23-12-9-6-3)62-50(56)31-28-25-22-19-16-14-11-8-5-2/h32-33,35-36,45,47,53H,4-31,34,37-43H2,1-3H3,(H,51,54)(H,52,55)(H,57,58)/t45-,47-/m1/s1
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| InChIKey |
NGCQHIVRBTVJEF-MAHDSEGOSA-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