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Compound InformationSONAR Target prediction
Name:

Prochlorperazine dimaleate

Unique Identifier:LOPAC 00300
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C28ClH32N3O8S
Molecular Weight:573.834 g/mol
X log p:16.724  (online calculus)
Lipinksi Failures1
TPSA35.02
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:4
Canonical Smiles:CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1.OC(=O)C=CC(O)=O.OC(=O)C=CC(O)=O
Class:Dopamine
Action:Antagonist

Found: 23 nonactive | as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [23]
Species: 4932
Condition: GIM3
Replicates: 4
Raw OD Value: r im 0.4672±0.151628
Normalized OD Score: sc h 0.9425±0.522629
Z-Score: -3.1023±11.2074
p-Value: 6.14046e-17
Z-Factor: -20.2967
Fitness Defect: 37.329
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:13|H5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.70 Celcius
Date:2005-04-08 YYYY-MM-DD
Plate CH Control (+):0.0448625±0.00062
Plate DMSO Control (-):0.6159125±0.11120
Plate Z-Factor:-0.1826
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DBLink | Rows returned: 6
66010 but-2-enedioic acid; 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine
5281032 but-2-enedioic acid; 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine
5462338 but-2-enedioic acid; 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine
5462695 2-chloro-10-[3-(4-methyl-2,3,5,6-tetrahydropyrazin-1-yl)propyl]phenothiazine;
(E)-4-hydroxy-4-oxo-but-2-enoate
6436057 but-2-enedioic acid; 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine
6537213 but-2-enedioic acid; 2-chloro-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine

internal high similarity DBLink | Rows returned: 0

active | Cluster 6041 | Additional Members: 22 | Rows returned: 152 3 Next >> 
LAT002B04 0.5375
SPE01500575 0.5375
Prest437 0.5375
LOPAC 00320 0.5375
Prest1278 0.5
SPE01503936 0.452054794520548

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