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Compound InformationSONAR Target prediction
Name:

Prochlorperazine dimaleate

Unique Identifier:Prest410
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

Found: 3 nonactive as graph: single | with analogs 1 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 2068.0000±0
Normalized OD Score: sc h 0.9971±0
Z-Score: -0.0644±0
p-Value: 0.948638
Z-Factor: -7.1081
Fitness Defect: 0.0527
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:5|H10
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.80 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):967.5±954.39230
Plate DMSO Control (-):2031±542.13094
Plate Z-Factor:-4.5046
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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: 161 2 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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