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TSR : Summary
Code 
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TSR
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One-letter code 
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X
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Molecule name 
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2-(1H-INDOL-3-YL)ACETAMIDE
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Systematic names 
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Formula 
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C10 H10 N2 O
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Formal charge 
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0
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Molecular weight 
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174.199 Da
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SMILES 
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Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
O=C(N)Cc2c1ccccc1nc2 |
SMILES
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CACTVS |
3.341 |
NC(=O)Cc1c[nH]c2ccccc12 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1ccc2c(c1)c(c[nH]2)CC(=O)N |
Canonical SMILES
|
CACTVS |
3.341 |
NC(=O)Cc1c[nH]c2ccccc12 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
c1ccc2c(c1)c(c[nH]2)CC(=O)N |
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IUPAC InChI  | InChI=1S/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13) |
IUPAC InChI key  | ZOAMBXDOGPRZLP-UHFFFAOYSA-N |
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wwPDB Information |
Atom count 
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23 (13 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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2005-08-09
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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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