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Compound InformationSONAR Target prediction
Name:

IRINOTECAN HYDROCHLORIDE

Unique Identifier:SPE01505821
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C33ClH39N4O6
Molecular Weight:583.829 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:Cl.CCc1c2CN3C(=O)C4COC(=O)C(O)(CC)C=4C=C3c2nc2ccc(OC(=O)N3CCC(CC3)N3CC
CCC3)cc21
Source:semisynthetic; U-101440
Therapeutics:antineoplastic; topoisomerase I inhibitor

Found: 91 nonactive as graph: single | with analogs [1] << Back 71 72 73 74 75 76 77 78 79 80  Next >> [91]
Species: 4932
Condition: SWI4
Replicates: 2
Raw OD Value: r im 0.6029±0.00685894
Normalized OD Score: sc h 1.0193±0.00445754
Z-Score: 0.8515±0.182458
p-Value: 0.398418
Z-Factor: -3.12006
Fitness Defect: 0.9203
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:5|D10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.00 Celcius
Date:2008-02-07 YYYY-MM-DD
Plate CH Control (+):0.0416±0.00065
Plate DMSO Control (-):0.573075±0.01032
Plate Z-Factor:0.9588
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

active | Cluster 1530 | Additional Members: 9 | Rows returned: 6
SPE01504123 0.178082191780822
LAT002A02 0
LOPAC 00814 0
SPE01502232 0
Prest102 0
LAT003C09 0

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