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M5L : Summary
Code
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M5L
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One-letter code
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X
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Molecule name
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6-[3-(4,4-difluoropiperidin-1-yl)propyl]-4-methylpyridin-2-amine
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Systematic names
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Formula
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C14 H21 F2 N3
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Formal charge
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0
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Molecular weight
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269.333 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
Cc1cc(CCCN2CCC(F)(F)CC2)nc(N)c1 |
SMILES
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CACTVS |
3.385 |
Cc1cc(N)nc(CCCN2CCC(F)(F)CC2)c1 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
Cc1cc(nc(c1)N)CCCN2CCC(CC2)(F)F |
Canonical SMILES
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CACTVS |
3.385 |
Cc1cc(N)nc(CCCN2CCC(F)(F)CC2)c1 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
Cc1cc(nc(c1)N)CCCN2CCC(CC2)(F)F |
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IUPAC InChI | InChI=1S/C14H21F2N3/c1-11-9-12(18-13(17)10-11)3-2-6-19-7-4-14(15,16)5-8-19/h9-10H,2-8H2,1H3,(H2,17,18) |
IUPAC InChI key | QUDAAAGCJFIIKZ-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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40 (19 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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2022-03-14
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Last modified at
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2022-07-08
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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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