General Information of the Compound
| Compound ID |
CP0552228
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| Compound Name |
(2S)-5-[[(5S)-5-[[(4S)-4-carboxy-4-(decanoylamino)butanoyl]amino]-6-[2-[2-[2-[2-[2-[2-[2-[2-(carboxymethoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-6-oxohexyl]amino]-2-(decanoylamino)-5-oxopentanoic acid
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| Formula |
C54H97N7O19
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| Molecular Weight |
1148.4
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| Canonical SMILES |
CCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)CC[C@H](NC(=O)CCCCCCCCC)C(O)=O)C(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)NCCOCCOCC(O)=O)C(O)=O
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| InChI |
InChI=1S/C54H97N7O19/c1-3-5-7-9-11-13-15-20-46(63)60-43(53(71)72)22-24-45(62)55-26-18-17-19-42(59-48(65)25-23-44(54(73)74)61-47(64)21-16-14-12-10-8-6-4-2)52(70)58-29-32-77-34-37-79-40-50(67)56-27-30-75-33-36-78-39-49(66)57-28-31-76-35-38-80-41-51(68)69/h42-44H,3-41H2,1-2H3,(H,55,62)(H,56,67)(H,57,66)(H,58,70)(H,59,65)(H,60,63)(H,61,64)(H,68,69)(H,71,72)(H,73,74)/t42-,43-,44-/m0/s1
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| InChIKey |
UZVPLIBCOGZNGG-KJFLPAQCSA-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