General Information of the Compound
| Compound ID |
CP0497199
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| Compound Name |
(2S)-2-[[(1S)-1-carboxy-5-[(4-iodobenzoyl)amino]pentyl]carbamoylamino]heptanoic acid
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| Structure |
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| Formula |
C21H30IN3O6
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| Molecular Weight |
547.39
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| Canonical SMILES |
CCCCC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O
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| InChI |
InChI=1S/C21H30IN3O6/c1-2-3-4-7-16(19(27)28)24-21(31)25-17(20(29)30)8-5-6-13-23-18(26)14-9-11-15(22)12-10-14/h9-12,16-17H,2-8,13H2,1H3,(H,23,26)(H,27,28)(H,29,30)(H2,24,25,31)/t16-,17-/m0/s1
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| InChIKey |
FUDOTVAFAPVJGO-IRXDYDNUSA-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