General Information of the Compound
| Compound ID |
CP0485669
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| Compound Name |
3-[2-[[(2R)-3-[(3R)-3-dodecanoyloxydecoxy]-2-tetradecanoyloxypropoxy]-hydroxyphosphoryl]oxyethylamino]-2-[(4-hydroxyphenyl)methyl]-3-oxopropanoic acid
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| Structure |
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| Formula |
C51H90NO13P
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| Molecular Weight |
956.249
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| Canonical SMILES |
CCCCCCCCCCCCCC(=O)O[C@H](COCC[C@@H](CCCCCCC)OC(=O)CCCCCCCCCCC)COP(O)(=O)OCCNC(=O)C(Cc1ccc(O)cc1)C(O)=O
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| InChI |
InChI=1S/C51H90NO13P/c1-4-7-10-13-15-17-18-20-22-25-28-31-49(55)65-46(42-63-66(59,60)62-39-37-52-50(56)47(51(57)58)40-43-32-34-44(53)35-33-43)41-61-38-36-45(29-26-23-12-9-6-3)64-48(54)30-27-24-21-19-16-14-11-8-5-2/h32-35,45-47,53H,4-31,36-42H2,1-3H3,(H,52,56)(H,57,58)(H,59,60)/t45-,46-,47?/m1/s1
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| InChIKey |
CUVWSABQVHBYQP-YEFSGDJUSA-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