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GCA : Summary
Code
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GCA
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One-letter code
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X
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Molecule name
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6-(3',5'-DIMETHYLBENZYL)-1-ETHOXYMETHYL-5-ISOPROPYLURACIL
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Synonyms
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GCA-186
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Systematic names
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Formula
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C19 H26 N2 O3
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Formal charge
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0
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Molecular weight
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330.421 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C1C(=C(N(C(=O)N1)COCC)Cc2cc(cc(c2)C)C)C(C)C |
SMILES
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CACTVS |
3.341 |
CCOCN1C(=O)NC(=O)C(=C1Cc2cc(C)cc(C)c2)C(C)C |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CCOCN1C(=C(C(=O)NC1=O)C(C)C)Cc2cc(cc(c2)C)C |
Canonical SMILES
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CACTVS |
3.341 |
CCOCN1C(=O)NC(=O)C(=C1Cc2cc(C)cc(C)c2)C(C)C |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
CCOCN1C(=C(C(=O)NC1=O)C(C)C)Cc2cc(cc(c2)C)C |
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IUPAC InChI | InChI=1S/C19H26N2O3/c1-6-24-11-21-16(10-15-8-13(4)7-14(5)9-15)17(12(2)3)18(22)20-19(21)23/h7-9,12H,6,10-11H2,1-5H3,(H,20,22,23) |
IUPAC InChI key | NVGVZWUORYLPAL-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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50 (24 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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1999-07-26
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Last modified at
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2021-03-01
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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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