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Compound Information
SONAR Target prediction
Name:
CHOLESTANE
Unique Identifier:
SPE00300015
MolClass:
Checkout models in
ver1.5
and
ver1.0
Molecular Formula:
Molecular Weight:
325.297 g/mol
X log p:
2.314
(online calculus)
Lipinksi Failures
0
TPSA
0
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptors Count:
0
Rotatable Bond Count:
5
Canonical Smiles:
CC(C)CCCC(C)C1CCC2C3CCC4CCCCC4(C)C3CCC12C
Source:
semisynthetic
Generic_name:
ADAMANTANE
Chemical_iupac_name:
ADAMANTANE
Drug_type:
Experimental
Drugbank_id:
EXPT00433
Logp:
2.69
Drug_category:
Cytochrome P450Cam inhibitor
Organisms_affected:
-1
Found: 205 nonactive as graph:
single
|
with analogs
[1]
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1
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3
4
5
6
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8
9
10
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[205]
Species:
4932
Condition:
ARF1
Replicates:
2
Raw OD Value:
r
im
0.6710±0.00417193
Normalized OD Score:
sc
h
0.9832±0.00323784
Z-Score:
-0.8154±0.15954
p-Value:
0.41778
Z-Factor:
-29.2298
Fitness Defect:
0.8728
Bioactivity Statement:
Nonactive
Experimental Conditions
Library:
Spectrum
Plate Number and Position:
24|A4
Drug Concentration:
50.00 nM
OD Absorbance:
600 nm
Robot Temperature:
26.10 Celcius
Date:
2007-10-02 YYYY-MM-DD
Plate CH Control (+):
0.041550000000000004±0.00088
Plate DMSO Control (-):
0.673775±0.12030
Plate Z-Factor:
0.4043
png
ps
pdf
DBLink | Rows returned: 3127
[1]
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511
512
513
514
515
516
517
518
519
520
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[522]
15970996
aluminum(+3) cation; 2-methylheptane
15971089
magnesium dodecane chloride
15971220
magnesium heptane bromide
15971340
magnesium propylcyclohexane bromide
15971443
magnesium methanidylcyclohexane bromide
15971462
magnesium undecane bromide
internal high similarity DBLink | Rows returned: 0
active
| Cluster 2228 | Additional Members: 18 | Rows returned: 7
1
2
Next >>
SPE00270051
0.451219512195122
SPE01500835
0.309859154929578
SPE01500605
0.3
SPE01500837
0.3
Prest256
0.3
SPE01500906
0
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