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Compound InformationSONAR Target prediction
Name:

CLOMIPHENE CITRATE

Unique Identifier:SPE01500196
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:561.797 g/mol
X log p:30.354  (online calculus)
Lipinksi Failures1
TPSA12.47
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:9
Canonical Smiles:CCN(CC)CCOc1ccc(cc1)C(=C(Cl)c1ccccc1)c1ccccc1.OC(=O)CC(O)(CC(O)=O)C(O)
=O
Source:synthetic
Therapeutics:gonad stimulating principle

Found: 189 active | as graph: single | with analogs [1] << Back 171 172 173 174 175 176 177 178 179 180  Next >> [189]
Species: 4932
Condition: VPS5
Replicates: 2
Raw OD Value: r im 0.0401±0.0000707107
Normalized OD Score: sc h 0.0488±0.00045495
Z-Score: -51.7105±0.322647
p-Value: 0
Z-Factor: 0.952897
Fitness Defect: INF
Bioactivity Statement: Toxic
Experimental Conditions
Library:Spectrum
Plate Number and Position:11|C10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.70 Celcius
Date:2006-03-30 YYYY-MM-DD
Plate CH Control (+):0.039224999999999996±0.00145
Plate DMSO Control (-):0.81705±0.01177
Plate Z-Factor:0.9570
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DBLink | Rows returned: 3
60974 2-[4-(2-chloro-1,2-diphenyl-ethenyl)phenoxy]-N,N-diethyl-ethanamine;
2-hydroxypropane-1,2,3-tricarboxylic acid
3033832 2-[4-[(E)-2-chloro-1,2-diphenyl-ethenyl]phenoxy]-N,N-diethyl-ethanamine;
2-hydroxypropane-1,2,3-tricarboxylic acid
6420009 2-[4-[(E)-2-chloro-1,2-diphenyl-ethenyl]phenoxy]-N,N-diethyl-ethanamine;
2-hydroxypropane-1,2,3-tricarboxylic acid

internal high similarity DBLink | Rows returned: 0

active | Cluster 3471 | Additional Members: 6 | Rows returned: 3
SPE01505682 0.269230769230769
LOPAC 00466 0
SPE01500557 0

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