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Compound InformationSONAR Target prediction
Name:

TETRAHYDROCORTISONE

Unique Identifier:SPE01701047
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C21H32O5
Molecular Weight:333.23 g/mol
X log p:-2.158  (online calculus)
Lipinksi Failures0
TPSA34.14
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:2
Canonical Smiles:CC12CCC(O)CC1CCC1C3CCC(O)(C(=O)CO)C3(C)CC(=O)C12
Source:exmicrobial degradation of cortisone
Reference:J Biol Chem 111: 599 (1935); 114: 613 (1936);124: 459 (1938); Z Naturforsch B 18:
284 (1963)

Found: 101 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [101]
Species: 4932
Condition: BCK2
Replicates: 2
Raw OD Value: r im 0.7413±0.0108187
Normalized OD Score: sc h 0.9921±0.00198563
Z-Score: -0.3415±0.126208
p-Value: 0.733776
Z-Factor: -11.1099
Fitness Defect: 0.3096
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:7|G10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.60 Celcius
Date:2006-03-29 YYYY-MM-DD
Plate CH Control (+):0.03755±0.00124
Plate DMSO Control (-):0.7292749999999999±0.01192
Plate Z-Factor:0.9323
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DBLink | Rows returned: 10<< Back 1 2
621102 17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phena
nthrene-3,11-dione
6429565 (3R,5S,17R)-3,17-dihydroxy-17-(2-hydroxyacetyl)-2,3,4,5,6,7,8,9,10,12,13,14,15,16-tetradecahydro-1H-cycl
openta[a]phenanthren-11-one
6429566 (3R,5R,17R)-3,17-dihydroxy-17-(2-hydroxyacetyl)-2,3,4,5,6,7,8,9,10,12,13,14,15,16-tetradecahydro-1H-cycl
openta[a]phenanthren-11-one
6710632 (3R,5R,10S,13S,17R)-3,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,3,4,5,6,7,8,9,12,14,15,16-dodec
ahydro-1H-cyclopenta[a]phenanthren-11-one

internal high similarity DBLink | Rows returned: 1
NRB 03728 0.9583

active | Cluster 7027 | Additional Members: 5 | Rows returned: 0

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