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Compound InformationSONAR Target prediction
Name:

RETINYL PALMITATE

Unique Identifier:SPE01503604
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:464.384 g/mol
X log p:12.918  (online calculus)
Lipinksi Failures2
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:21
Canonical Smiles:CCCCCCCCCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
Source:semisynthetic
Therapeutics:provitamin, antixerophthalamic

Found: 205 nonactive as graph: single | with analogs [1] << Back 201 202 203 204 205 Next >> [205]
Species: 4932
Condition: MDH1
Replicates: 2
Raw OD Value: r im 0.7364±0.0241831
Normalized OD Score: sc h 0.9846±0.0127839
Z-Score: -0.8420±0.632357
p-Value: 0.445168
Z-Factor: -6.80369
Fitness Defect: 0.8093
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:13|G2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.10 Celcius
Date:2007-08-07 YYYY-MM-DD
Plate CH Control (+):0.040975±0.00173
Plate DMSO Control (-):0.7423±0.02522
Plate Z-Factor:0.9192
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DBLink | Rows returned: 11<< Back 1 2
5353926 [(2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] hexadecanoate
5459829 [(2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] hexadecanoate
6438398 [(2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] octadecanoate
6440168 [(2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl]
(E)-octadec-9-enoate
16061316 [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl]
(E)-octadec-9-enoate

internal high similarity DBLink | Rows returned: 0

active | Cluster 820 | Additional Members: 15 | Rows returned: 3
SPE01500143 0.277777777777778
Prest424 0
SPE01502016 0

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