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Compound InformationSONAR Target prediction
Name:

AMINOCYCLOPROPANECARBOXYLIC ACID

Unique Identifier:SPE01502130
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:94.0483 g/mol
X log p:-2.117  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:1
Canonical Smiles:NC1(CC1)C(O)=O
Source:synthetic; ACPC
Therapeutics:NMDA partial agonist (gly)
Generic_name:1-AMINOCYCLOPROPANECARBOXYLIC ACID
Chemical_iupac_name:1-AMINOCYCLOPROPANECARBOXYLIC ACID
Drug_type:Experimental
Drugbank_id:EXPT00065
Drug_category:1-Aminocyclopropane-1-Carboxylate Deaminase inhibitor
Organisms_affected:-1

Found: 205 nonactive as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: AAT2
Replicates: 2
Raw OD Value: r im 0.7426±0.0104652
Normalized OD Score: sc h 1.0238±0.00074668
Z-Score: 1.2619±0.0121732
p-Value: 0.206998
Z-Factor: -0.744701
Fitness Defect: 1.575
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:9|C7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.10 Celcius
Date:2008-04-08 YYYY-MM-DD
Plate CH Control (+):0.0403±0.00082
Plate DMSO Control (-):0.7129749999999999±0.01080
Plate Z-Factor:0.9359
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DBLink | Rows returned: 511 2 3 4 5 6 7 8 9 Next >> 
535 1-aminocyclopropane-1-carboxylic acid
1182 2-amino-3-methyl-butanoic acid
6287 (2S)-2-amino-3-methyl-butanoic acid
6657 2-aminobutanoic acid
34090 2-amino-3-methyl-butanoate; cobalt(+2) cation; trihydrate
71563 (2R)-2-amino-3-methyl-butanoic acid

internal high similarity DBLink | Rows returned: 1
LOPAC 00644 1.0000

active | Cluster 4858 | Additional Members: 8 | Rows returned: 1
SPE01502131 0.2

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