General Information of the Compound
| Compound ID |
CP0550858
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| Compound Name |
(2S)-5-[[(5S)-5-[[(4S)-4-carboxy-4-(dodecanoylamino)butanoyl]amino]-6-[2-[2-[2-[2-[2-(carboxymethoxy)ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-6-oxohexyl]amino]-2-(dodecanoylamino)-5-oxopentanoic acid
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| Formula |
C52H94N6O16
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| Molecular Weight |
1059.35
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| Canonical SMILES |
CCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)CC[C@H](NC(=O)CCCCCCCCCCC)C(O)=O)C(=O)NCCOCCOCC(=O)NCCOCCOCC(O)=O)C(O)=O
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| InChI |
InChI=1S/C52H94N6O16/c1-3-5-7-9-11-13-15-17-19-24-45(60)57-42(51(67)68)26-28-44(59)53-30-22-21-23-41(50(66)55-32-34-72-35-37-73-39-48(63)54-31-33-71-36-38-74-40-49(64)65)56-47(62)29-27-43(52(69)70)58-46(61)25-20-18-16-14-12-10-8-6-4-2/h41-43H,3-40H2,1-2H3,(H,53,59)(H,54,63)(H,55,66)(H,56,62)(H,57,60)(H,58,61)(H,64,65)(H,67,68)(H,69,70)/t41-,42-,43-/m0/s1
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| InChIKey |
IWLJBTTUWHVDCA-SVWSIEHRSA-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