General Information of the Compound
| Compound ID |
CP0333050
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| Compound Name |
2-fluoranyl-5-nitro-N-(12-oxidanylidene-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-2-yl)benzamide
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| Structure |
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| Formula |
C20H17FN4O4
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| Molecular Weight |
396.378
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| Canonical SMILES |
[O-][N+](=O)c1ccc(F)c(c1)C(=O)Nc1ccc2nc3CCCCCn3c(=O)c2c1
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| InChI |
InChI=1S/C20H17FN4O4/c21-16-7-6-13(25(28)29)11-14(16)19(26)22-12-5-8-17-15(10-12)20(27)24-9-3-1-2-4-18(24)23-17/h5-8,10-11H,1-4,9H2,(H,22,26)
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| InChIKey |
NWGZTYBDGHMAFP-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8