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Compound InformationSONAR Target prediction
Name:

1-Amino-1-cyclohexanecarboxylic acid hydrochloride

Unique Identifier:LOPAC 00333
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C7ClH14NO2
Molecular Weight:165.533 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:Cl.NC1(CCCCC1)C(O)=O
Class:Neurotransmission
Action:Substrate
Generic_name:BETA-CYCLOHEXYL-ALANINE
Chemical_iupac_name:BETA-CYCLOHEXYL-ALANINE
Drug_type:Experimental
Drugbank_id:EXPT01686
Drug_category:Zinc Finger Y-Chromosomal Protein inhibitor
Organisms_affected:-1

Found: 24 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: CIN2
Replicates: 2
Raw OD Value: r im 0.8429±0.0013435
Normalized OD Score: sc h 1.0009±0.0129328
Z-Score: 0.1182±0.991601
p-Value: 0.486248
Z-Factor: -40.1884
Fitness Defect: 0.721
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:2|D8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.00 Celcius
Date:2005-12-07 YYYY-MM-DD
Plate CH Control (+):0.0397±0.00133
Plate DMSO Control (-):0.8148249999999999±0.01441
Plate Z-Factor:0.9377
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DBLink | Rows returned: 158[1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [27]
736849 (2R)-2-amino-2-cyclohexyl-acetic acid
759427 (2S)-2-(1-adamantyl)-2-amino-acetic acid
759428 (2R)-2-(1-adamantyl)-2-amino-acetic acid
909766 (2S)-3-(1-adamantyl)-2-amino-propanoic acid
909767 (2R)-3-(1-adamantyl)-2-amino-propanoic acid
1549171 (2S,9S)-2,9-diazaniumyldecanedioate

internal high similarity DBLink | Rows returned: 5
SPE01502026 0.9286
SPE01502128 0.9286
JFD 01160 1.0000
RJC 00670 1.0000
SB 02002 1.0000

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

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