General Information of the Compound
| Compound ID |
CP0475980
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| Compound Name |
3-[2-[[(2S)-3-[[(3R)-3-dodecanoyloxydecyl]amino]-3-oxo-2-(tetradecanoylamino)propoxy]-hydroxyphosphoryl]oxyethylamino]-2-[(4-hydroxyphenyl)methyl]-3-oxopropanoic acid
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| Structure |
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| Formula |
C51H90N3O12P
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| Molecular Weight |
968.264
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| Canonical SMILES |
CCCCCCCCCCCCCC(=O)N[C@@H](COP(O)(=O)OCCNC(=O)C(Cc1ccc(O)cc1)C(O)=O)C(=O)NCC[C@@H](CCCCCCC)OC(=O)CCCCCCCCCCC
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| InChI |
InChI=1S/C51H90N3O12P/c1-4-7-10-13-15-17-18-20-21-24-27-30-47(56)54-46(41-65-67(62,63)64-39-38-53-49(58)45(51(60)61)40-42-32-34-43(55)35-33-42)50(59)52-37-36-44(29-26-23-12-9-6-3)66-48(57)31-28-25-22-19-16-14-11-8-5-2/h32-35,44-46,55H,4-31,36-41H2,1-3H3,(H,52,59)(H,53,58)(H,54,56)(H,60,61)(H,62,63)/t44-,45?,46+/m1/s1
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| InChIKey |
CWPHJLDLXSWGOL-JVKQUACPSA-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