General Information of the Compound
| Compound ID |
CP0563570
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| Compound Name |
(2S)-5-[[(5S)-5-[[(4S)-4-carboxy-4-(hexadecanoylamino)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-(hexadecanoylamino)-5-oxopentanoic acid
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| Formula |
C66H121N7O19
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| Molecular Weight |
1316.724
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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)NCCOCCOCC(=O)NCCOCCOCC(O)=O)C(O)=O
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| InChI |
InChI=1S/C66H121N7O19/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32-58(75)72-55(65(83)84)34-36-57(74)67-38-30-29-31-54(71-60(77)37-35-56(66(85)86)73-59(76)33-28-26-24-22-20-18-16-14-12-10-8-6-4-2)64(82)70-41-44-89-46-49-91-52-62(79)68-39-42-87-45-48-90-51-61(78)69-40-43-88-47-50-92-53-63(80)81/h54-56H,3-53H2,1-2H3,(H,67,74)(H,68,79)(H,69,78)(H,70,82)(H,71,77)(H,72,75)(H,73,76)(H,80,81)(H,83,84)(H,85,86)/t54-,55-,56-/m0/s1
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| InChIKey |
QYXPHMCFSPDETG-FISOEBTQSA-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