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Compound InformationSONAR Target prediction
Name:

Beclomethasone

Unique Identifier:LOPAC 00703
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C22ClH29O5
Molecular Weight:379.685 g/mol
X log p:4.142  (online calculus)
Lipinksi Failures0
TPSA34.14
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:2
Canonical Smiles:CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(Cl)C(O)CC2(C)C1(O)C(=O)CO
Class:Hormone
Selectivity:Glucocorticoid

Found: 24 nonactive as graph: single | with analogs 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: BY4741
Replicates: 8
Raw OD Value: r im 0.7825±0.0969612
Normalized OD Score: sc h 0.9736±0.0165246
Z-Score: -0.6664±0.775559
p-Value: 0.505414
Z-Factor: -19.6944
Fitness Defect: 0.6824
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:2|H10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.60 Celcius
Date:2005-04-07 YYYY-MM-DD
Plate CH Control (+):0.046749999999999986±0.00334
Plate DMSO Control (-):0.7916312500000005±0.04022
Plate Z-Factor:0.8778
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DBLink | Rows returned: 3
2308 9-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopent
a[a]phenanthren-3-one
20469 (8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,1
1,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
6603734 (8R,9S,10S,11S,13R,14R,16R,17R)-9-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,1
1,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one

internal high similarity DBLink | Rows returned: 0

active | Cluster 9739 | Additional Members: 15 | Rows returned: 1
Prest25 0.376470588235294

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