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GUK : Summary
Code
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GUK
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One-letter code
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X
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Molecule name
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6-chloranyl-3-(2~{H}-indazol-5-yl)-~{N}-propan-2-yl-imidazo[1,2-b]pyridazin-8-amine
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Systematic names
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Formula
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C16 H15 Cl N6
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Formal charge
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0
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Molecular weight
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326.784 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
CC(C)Nc1cc(Cl)nn2c(cnc12)c3ccc4n[nH]cc4c3 |
SMILES
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OpenEye OEToolkits |
2.0.6 |
CC(C)Nc1cc(nn2c1ncc2c3ccc4c(c3)c[nH]n4)Cl |
Canonical SMILES
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CACTVS |
3.385 |
CC(C)Nc1cc(Cl)nn2c(cnc12)c3ccc4n[nH]cc4c3 |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
CC(C)Nc1cc(nn2c1ncc2c3ccc4c(c3)c[nH]n4)Cl |
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IUPAC InChI | InChI=1S/C16H15ClN6/c1-9(2)20-13-6-15(17)22-23-14(8-18-16(13)23)10-3-4-12-11(5-10)7-19-21-12/h3-9,20H,1-2H3,(H,19,21) |
IUPAC InChI key | TZFOHQPMYQZELA-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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38 (23 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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2018-10-10
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Last modified at
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2019-02-22
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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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