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Compound Information
SONAR Target prediction
Name:
CHOL-11-ENIC ACID
Unique Identifier:
SPE01500856
MolClass:
Checkout models in
ver1.5
and
ver1.0
Molecular Formula:
C24H36O3
Molecular Weight:
337.263 g/mol
X log p:
4.247
(online calculus)
Lipinksi Failures
0
TPSA
34.14
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptors Count:
3
Rotatable Bond Count:
4
Canonical Smiles:
CC(CCC(O)=O)C1CCC2C3CCC4CC(=O)CCC4(C)C3C=CC12C
Generic_name:
OLEIC ACID
Chemical_iupac_name:
OLEIC ACID
Drug_type:
Experimental
Kegg_compound_id:
C00712
Drugbank_id:
EXPT02430
Logp:
6.036
Cas_registry_number:
112-80-1
Drug_category:
Serum Albumin inhibitor
Organisms_affected:
-1
Found: 4
active
| as graph:
single
|
with analogs
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1
2
3
4
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Species:
4932
Condition:
GPR1
Replicates:
2
Raw OD Value:
r
im
0.6619±0.0443356
Normalized OD Score:
sc
h
0.8319±0.0161984
Z-Score:
-4.7506±0.16438
p-Value:
0.00000235662
Z-Factor:
-0.377468
Fitness Defect:
12.9583
Bioactivity Statement:
Active
Experimental Conditions
Library:
Spectrum
Plate Number and Position:
8|E4
Drug Concentration:
50.00 nM
OD Absorbance:
600 nm
Robot Temperature:
25.50 Celcius
Date:
2006-03-02 YYYY-MM-DD
Plate CH Control (+):
0.038575±0.00080
Plate DMSO Control (-):
0.7821499999999999±0.04082
Plate Z-Factor:
0.9403
png
ps
pdf
DBLink | Rows returned: 282
[1]
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21
22
23
24
25
26
27
28
29
30
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[47]
5312438
(E)-heptadec-8-enoic acid
5312439
(E)-heptadec-8-enoic acid
5312440
(E)-heptadec-9-enoic acid
5312441
(E)-octadec-13-enoic acid
5312442
(E)-octadec-15-enoic acid
5312512
(E)-nonadec-10-enoic acid
internal high similarity DBLink | Rows returned: 5
SPE00100550
0.9091
SPE01800031
0.9091
BTBG 00247
0.9524
LOPAC 01105
1.0000
SPE00310016
1.0000
active
| Cluster 15990 | Additional Members: 2 | Rows returned: 1
SPE01500848
0.325
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