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R9W : Summary
Code
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R9W
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One-letter code
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X
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Molecule name
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2,3,5,6,7,8-hexahydro-1~{H}-cyclopenta[b]quinolin-9-amine
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Systematic names
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Formula
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C12 H16 N2
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Formal charge
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0
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Molecular weight
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188.269 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
Nc1c2CCCCc2nc3CCCc13 |
SMILES
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OpenEye OEToolkits |
2.0.7 |
C1CCc2c(c(c3c(n2)CCC3)N)C1 |
Canonical SMILES
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CACTVS |
3.385 |
Nc1c2CCCCc2nc3CCCc13 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
C1CCc2c(c(c3c(n2)CCC3)N)C1 |
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IUPAC InChI | InChI=1S/C12H16N2/c13-12-8-4-1-2-6-10(8)14-11-7-3-5-9(11)12/h1-7H2,(H2,13,14) |
IUPAC InChI key | YLUSMKAJIQOXPV-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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30 (14 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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2020-09-21
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Last modified at
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2020-11-27
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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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