4E1
10-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid
Created: | 2015-03-05 |
Last modified: | 2015-03-25 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 30 |
Chiral Atom Count | 0 |
Bond Count | 33 |
Aromatic Bond Count | 20 |
Chemical Component Summary | |
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Name | 10-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid |
Systematic Name (OpenEye OEToolkits) | 10-iodanyl-11H-indolo[3,2-c]quinoline-6-carboxylic acid |
Formula | C16 H9 I N2 O2 |
Molecular Weight | 388.159 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c32c1nc4c(c1c(nc2cccc3)C(O)=O)cccc4I |
SMILES | CACTVS | 3.385 | OC(=O)c1nc2ccccc2c3[nH]c4c(I)cccc4c13 |
SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)c3c(c4cccc(c4[nH]3)I)c(n2)C(=O)O |
Canonical SMILES | CACTVS | 3.385 | OC(=O)c1nc2ccccc2c3[nH]c4c(I)cccc4c13 |
Canonical SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc2c(c1)c3c(c4cccc(c4[nH]3)I)c(n2)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C16H9IN2O2/c17-10-6-3-5-9-12-14(19-13(9)10)8-4-1-2-7-11(8)18-15(12)16(20)21/h1-7,19H,(H,20,21) |
InChIKey | InChI | 1.03 | SDRAETFVRBBLOB-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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Pharos | CHEMBL3589662 |
PubChem | 91664021 |
ChEMBL | CHEMBL3589662 |