General Information of the Compound
| Compound ID |
CP0395975
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| Compound Name |
(2R)-5-((6-Amino-1,7-diethoxy-1,7-dioxoheptan-2-yl)amino)-2-dodecanamido-5-oxopentanoicAcid
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| Structure |
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| Formula |
C28H51N3O8
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| Molecular Weight |
557.729
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| Canonical SMILES |
CCCCCCCCCCCC(=O)N[C@H](CCC(=O)NC(CCCC(N)C(=O)OCC)C(=O)OCC)C(O)=O
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| InChI |
InChI=1S/C28H51N3O8/c1-4-7-8-9-10-11-12-13-14-18-24(32)30-22(26(34)35)19-20-25(33)31-23(28(37)39-6-3)17-15-16-21(29)27(36)38-5-2/h21-23H,4-20,29H2,1-3H3,(H,30,32)(H,31,33)(H,34,35)/t21?,22-,23?/m1/s1
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| InChIKey |
SCWXWAKOBNTJAK-OOMBGRCJSA-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