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M62 : Summary
Code
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M62
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One-letter code
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X
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Molecule name
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7-{[(3-fluorophenyl)amino]methyl}quinolin-2-amine
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Systematic names
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Formula
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C16 H14 F N3
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Formal charge
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0
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Molecular weight
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267.301 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
n1c2c(ccc1N)ccc(c2)CNc3cc(ccc3)F |
SMILES
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CACTVS |
3.385 |
Nc1ccc2ccc(CNc3cccc(F)c3)cc2n1 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
c1cc(cc(c1)F)NCc2ccc3ccc(nc3c2)N |
Canonical SMILES
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CACTVS |
3.385 |
Nc1ccc2ccc(CNc3cccc(F)c3)cc2n1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
c1cc(cc(c1)F)NCc2ccc3ccc(nc3c2)N |
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IUPAC InChI | InChI=1S/C16H14FN3/c17-13-2-1-3-14(9-13)19-10-11-4-5-12-6-7-16(18)20-15(12)8-11/h1-9,19H,10H2,(H2,18,20) |
IUPAC InChI key | UVVDQBVYPPCDJF-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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34 (20 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2017-05-23
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Last modified at
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2017-08-11
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Status
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Released
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Obsoleted
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Not Assigned
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