General Information of the Compound
| Compound ID |
CP0501409
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| Compound Name |
2-Amino-6-((R)-4-carboxy-4-(dioctylamino)butanamido)heptanedioic Acid
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| Structure |
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| Formula |
C28H53N3O7
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| Molecular Weight |
543.746
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| Canonical SMILES |
CCCCCCCCN(CCCCCCCC)[C@H](CCC(=O)NC(CCCC(N)C(O)=O)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C28H53N3O7/c1-3-5-7-9-11-13-20-31(21-14-12-10-8-6-4-2)24(28(37)38)18-19-25(32)30-23(27(35)36)17-15-16-22(29)26(33)34/h22-24H,3-21,29H2,1-2H3,(H,30,32)(H,33,34)(H,35,36)(H,37,38)/t22?,23?,24-/m1/s1
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| InChIKey |
INNAGUQMLVEAFD-KXTRFFEISA-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