General Information of the Compound
| Compound ID |
CP0551245
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| Compound Name |
(2S)-5-[[(5S)-5-[[(4S)-4-carboxy-4-(dodecanoylamino)butanoyl]amino]-6-[2-[2-(carboxymethoxy)ethoxy]ethylamino]-6-oxohexyl]amino]-2-(dodecanoylamino)-5-oxopentanoic acid
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| Formula |
C46H83N5O13
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| Molecular Weight |
914.192
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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)=O)C(O)=O
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| InChI |
InChI=1S/C46H83N5O13/c1-3-5-7-9-11-13-15-17-19-24-40(53)50-37(45(59)60)26-28-39(52)47-30-22-21-23-36(44(58)48-31-32-63-33-34-64-35-43(56)57)49-42(55)29-27-38(46(61)62)51-41(54)25-20-18-16-14-12-10-8-6-4-2/h36-38H,3-35H2,1-2H3,(H,47,52)(H,48,58)(H,49,55)(H,50,53)(H,51,54)(H,56,57)(H,59,60)(H,61,62)/t36-,37-,38-/m0/s1
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| InChIKey |
ISTMKUBIPAMNNQ-QXUSSCGESA-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