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Compound InformationSONAR Target prediction
Name:

CHLORPROPHAM

Unique Identifier:SPE00330051
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C10ClH12NO2
Molecular Weight:201.565 g/mol
X log p:9.067  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:4
Canonical Smiles:CC(C)OC(=O)Nc1cccc(Cl)c1
Therapeutics:herbicide, plant growth regulator

Found: 515 nonactive | as graph: single | with analogs [1] << Back 501 502 503 504 505 506 507 508 509 510  Next >> [515]
Species: 4932
Condition: IRE1
Replicates: 2
Raw OD Value: r im 0.7870±0.0156271
Normalized OD Score: sc h 0.9742±0.0172457
Z-Score: -1.4606±0.972357
p-Value: 0.235606
Z-Factor: -47.451
Fitness Defect: 1.4456
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:25|G4
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.09825±0.00733
Plate DMSO Control (-):0.95575±0.01636
Plate Z-Factor:0.9111
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DBLink | Rows returned: 2
2728 propan-2-yl N-(3-chlorophenyl)carbamate
220166 tert-butyl N-(3-chlorophenyl)carbamate

internal high similarity DBLink | Rows returned: 3
SEW 04919 0.9483
SPB 07911 0.9492
SPB 07912 0.9655

active | Cluster 13997 | Additional Members: 51 | Rows returned: 2
BTB 06196 0.510638297872341
JP 00319 0.5

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