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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 61 62 63 64 65 66 67 68 69 70  Next >> [91]
Species: 4932
Condition: SNC1
Replicates: 2
Raw OD Value: r im 0.7461±0.00777817
Normalized OD Score: sc h 1.0217±0.00202591
Z-Score: 1.2210±0.0811869
p-Value: 0.222846
Z-Factor: -4.22165
Fitness Defect: 1.5013
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:5|D10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.70 Celcius
Date:2008-04-24 YYYY-MM-DD
Plate CH Control (+):0.041325±0.00342
Plate DMSO Control (-):0.706775±0.01911
Plate Z-Factor:0.9060
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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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