The Biofilms Structural Database
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The Biofilms Structural Database |
Compound 20 |
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|---|---|
6Q7W |
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Code
HLQ | |
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Name |
~{N}4-[3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)pyridine-2,4-diamine |
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Molecular Weight |
313.29 |
|
Isomeric SMILES |
Nc1cc(NCCCc2ccc(F)cc2)cc(n1)C(F)(F)F |
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Formula |
C15H15F4N3 |
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Identifiers |
~{N}4-[3-(4-fluorophenyl)propyl]-6-(trifluoromethyl)pyridine-2,4-diamine |
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Formal Charge |
0 |
|
InChI |
InChI=1S/C15H15F4N3/c16-11-5-3-10(4-6-11)2-1-7-21-12-8-13(15(17,18)19)22-14(20)9-12/h3-6,8-9H,1-2,7H2,(H3,20,21,22) |
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Atom Count |
37 |
|
InChIKey |
AUZFKJZRALGBMB-UHFFFAOYSA-N |
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PDB codes |
6Q7W |
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Type |
NON-POLYMER |
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Chiral Atom Count |
0 |
|
Chiral Atoms |
n/a |
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Bond Count |
38 |
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Aromatic Bond Count |
12 |
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Leaving Atoms |
n/a |