General Information of the Compound
| Compound ID |
CP0540045
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| Compound Name |
(2S)-2-[[(1S)-1-carboxyethyl]carbamoylamino]-6-[(4-iodobenzoyl)amino]hexanoic acid
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| Structure |
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| Formula |
C17H22IN3O6
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| Molecular Weight |
491.282
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| Canonical SMILES |
C[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/C17H22IN3O6/c1-10(15(23)24)20-17(27)21-13(16(25)26)4-2-3-9-19-14(22)11-5-7-12(18)8-6-11/h5-8,10,13H,2-4,9H2,1H3,(H,19,22)(H,23,24)(H,25,26)(H2,20,21,27)/t10-,13-/m0/s1
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| InChIKey |
OWNVDFOAOITVCS-GWCFXTLKSA-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