Drug Information
Drug General Information | Top | |||
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Drug ID |
D0W9ZH
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Former ID |
DNC011330
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Drug Name |
NSC-720622
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Synonyms |
NSC-720622
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Drug Type |
Small molecular drug
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Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
Structure |
Download2D MOL |
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Formula |
C27H23F3N4O5S
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Canonical SMILES |
C[N+]1=C(C=C2N1C3=C(C2=CC4=CC=C(C=C4)N(C)C)C=C(C=C3)[N+](=O)[O-])C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]
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InChI |
1S/C26H23N4O2.CHF3O3S/c1-27(2)20-11-9-18(10-12-20)15-22-23-16-21(30(31)32)13-14-24(23)29-26(22)17-25(28(29)3)19-7-5-4-6-8-19;2-1(3,4)8(5,6)7/h4-17H,1-3H3;(H,5,6,7)/q+1;/p-1
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InChIKey |
CKJNKVUCIFATCQ-UHFFFAOYSA-M
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PubChem Compound ID |
Target and Pathway | Top | |||
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Target(s) | Quinone reductase 2 (NQO2) | Target Info | Inhibitor | [1] |
References | Top | |||
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REF 1 | In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2). Bioorg Med Chem Lett. 2010 Dec 15;20(24):7331-6. |
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