General Information of the Compound
| Compound ID |
CP0489814
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| Compound Name |
2,6-bis(fluoranyl)-3-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 |
C20H16F2N4O4
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| Molecular Weight |
414.368
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| Canonical SMILES |
[O-][N+](=O)c1ccc(F)c(C(=O)Nc2ccc3nc4CCCCCn4c(=O)c3c2)c1F
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| InChI |
InChI=1S/C20H16F2N4O4/c21-13-6-8-15(26(29)30)18(22)17(13)19(27)23-11-5-7-14-12(10-11)20(28)25-9-3-1-2-4-16(25)24-14/h5-8,10H,1-4,9H2,(H,23,27)
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| InChIKey |
SXWANEUGKHOYOT-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: PT06172, Mothers against decapentaplegic homolog 3