General Information of the Compound
| Compound ID |
CP0522931
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| Compound Name |
2-((R)-4-Carboxy-4-dodecanamidobutanamido)-6-dodecanamidoheptanedioic Acid
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| Structure |
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| Formula |
C36H65N3O9
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| Molecular Weight |
683.928
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| Canonical SMILES |
CCCCCCCCCCCC(=O)NC(CCCC(NC(=O)CC[C@@H](NC(=O)CCCCCCCCCCC)C(O)=O)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C36H65N3O9/c1-3-5-7-9-11-13-15-17-19-24-31(40)37-28(34(43)44)22-21-23-29(35(45)46)38-33(42)27-26-30(36(47)48)39-32(41)25-20-18-16-14-12-10-8-6-4-2/h28-30H,3-27H2,1-2H3,(H,37,40)(H,38,42)(H,39,41)(H,43,44)(H,45,46)(H,47,48)/t28?,29?,30-/m1/s1
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| InChIKey |
HGUGDMFRZXYRBK-QGVFFIPKSA-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