General Information of the Compound
| Compound ID |
CP0550857
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| Compound Name |
(2S)-5-[[(5S)-5-[[(4S)-4-carboxy-4-(hexadecanoylamino)butanoyl]amino]-6-[2-[2-(carboxymethoxy)ethoxy]ethylamino]-6-oxohexyl]amino]-2-(hexadecanoylamino)-5-oxopentanoic acid
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| Formula |
C54H99N5O13
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| Molecular Weight |
1026.408
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| Canonical SMILES |
CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCC)C(O)=O)C(=O)NCCOCCOCC(O)=O)C(O)=O
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| InChI |
InChI=1S/C54H99N5O13/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32-48(61)58-45(53(67)68)34-36-47(60)55-38-30-29-31-44(52(66)56-39-40-71-41-42-72-43-51(64)65)57-50(63)37-35-46(54(69)70)59-49(62)33-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h44-46H,3-43H2,1-2H3,(H,55,60)(H,56,66)(H,57,63)(H,58,61)(H,59,62)(H,64,65)(H,67,68)(H,69,70)/t44-,45-,46-/m0/s1
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| InChIKey |
VVJVADSWOMWVRG-LCALOIESSA-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