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GG2 : Summary
Code
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GG2
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One-letter code
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X
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Molecule name
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1-(4-METHOXYPHENYL)-7-OXO-6-[4-(2-OXOPIPERIDIN-1-YL)PHENYL]-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINE-3-CARBOXAMIDE
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Systematic names
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Formula
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C25 H25 N5 O4
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Formal charge
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0
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Molecular weight
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459.497 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C5N(c4ccc(N3C(=O)c1c(c(nn1c2ccc(OC)cc2)C(=O)N)CC3)cc4)CCCC5 |
SMILES
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CACTVS |
3.341 |
COc1ccc(cc1)n2nc(C(N)=O)c3CCN(C(=O)c23)c4ccc(cc4)N5CCCCC5=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
COc1ccc(cc1)n2c3c(c(n2)C(=O)N)CCN(C3=O)c4ccc(cc4)N5CCCCC5=O |
Canonical SMILES
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CACTVS |
3.341 |
COc1ccc(cc1)n2nc(C(N)=O)c3CCN(C(=O)c23)c4ccc(cc4)N5CCCCC5=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
COc1ccc(cc1)n2c3c(c(n2)C(=O)N)CCN(C3=O)c4ccc(cc4)N5CCCCC5=O |
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IUPAC InChI | InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32) |
IUPAC InChI key | QNZCBYKSOIHPEH-UHFFFAOYSA-N |
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wwPDB Information |
Atom count
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59 (34 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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2007-03-09
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Last modified at
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2011-06-04
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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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