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0JP : Summary
Code
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0JP
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One-letter code
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X
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Molecule name
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8,9-dimethoxy-1-(1,3-thiazol-5-yl)-5,6-dihydroimidazo[5,1-a]isoquinoline
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Systematic names
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Formula
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C16 H15 N3 O2 S
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Formal charge
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0
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Molecular weight
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313.374 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
n1cn4c(c1c2scnc2)c3cc(OC)c(OC)cc3CC4 |
SMILES
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CACTVS |
3.370 |
COc1cc2CCn3cnc(c4scnc4)c3c2cc1OC |
SMILES
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OpenEye OEToolkits |
1.7.6 |
COc1cc2c(cc1OC)-c3c(ncn3CC2)c4cncs4 |
Canonical SMILES
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CACTVS |
3.370 |
COc1cc2CCn3cnc(c4scnc4)c3c2cc1OC |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
COc1cc2c(cc1OC)-c3c(ncn3CC2)c4cncs4 |
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IUPAC InChI | InChI=1S/C16H15N3O2S/c1-20-12-5-10-3-4-19-8-18-15(14-7-17-9-22-14)16(19)11(10)6-13(12)21-2/h5-9H,3-4H2,1-2H3 |
IUPAC InChI key | GFIAXSKRRKHJBD-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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37 (22 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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2012-01-25
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Last modified at
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2012-03-09
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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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