General Information of the Compound
| Compound ID |
CP0437178
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| Compound Name |
2-Amino-6-((R)-4-dodecanamido-5-ethoxy-5-oxopentanamido)heptanedioic Acid
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| Structure |
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| Formula |
C26H47N3O8
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| Molecular Weight |
529.675
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| Canonical SMILES |
CCCCCCCCCCCC(=O)N[C@H](CCC(=O)NC(CCCC(N)C(O)=O)C(O)=O)C(=O)OCC
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| InChI |
InChI=1S/C26H47N3O8/c1-3-5-6-7-8-9-10-11-12-16-22(30)29-21(26(36)37-4-2)17-18-23(31)28-20(25(34)35)15-13-14-19(27)24(32)33/h19-21H,3-18,27H2,1-2H3,(H,28,31)(H,29,30)(H,32,33)(H,34,35)/t19?,20?,21-/m1/s1
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| InChIKey |
QNLDHWNRVCPNAH-XVAXZDLZSA-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