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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: ESC2
Replicates: 2
Raw OD Value: r im 0.4750±0.00254558
Normalized OD Score: sc h 0.9798±0.00153494
Z-Score: -0.6264±0.00733376
p-Value: 0.531066
Z-Factor: -714.41
Fitness Defect: 0.6329
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:2|D8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:28.20 Celcius
Date:2005-11-25 YYYY-MM-DD
Plate CH Control (+):0.03905±0.00137
Plate DMSO Control (-):0.53255±0.04497
Plate Z-Factor:0.7221
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DBLink | Rows returned: 158[1] << Back 21 22 23 24 25 26 27 Next >> [27]
6938809 (2R)-2-(1-adamantyl)-2-azaniumyl-acetate
6992957 (2S)-2-azaniumylheptanedioate
6993045 (2R)-2-azaniumyl-3-cyclopentyl-propanoate
6993046 (2R)-2-amino-3-cyclopentyl-propanoic acid
6994844 (2S,8S)-2,8-diazaniumylnonanedioate
6994845 (2S,8S)-2,8-diaminononanedioic acid

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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