General Information of the Compound
| Compound ID |
CP0462811
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| Compound Name |
6-chloro-8-nitro-4-((5-(pyridin-2-yl)-4-(3,3,3-trifluoropropyl)-4H-1,2,4-triazol-3-yl)methyl)-2H-benzo[b][1,4]oxazin-3(4H)-one
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| Structure |
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| Formula |
C19H14ClF3N6O4
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| Molecular Weight |
482.806
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| Canonical SMILES |
[O-][N+](=O)c1cc(Cl)cc2N(Cc3nnc(-c4ccccn4)n3CCC(F)(F)F)C(=O)COc12
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| InChI |
InChI=1S/C19H14ClF3N6O4/c20-11-7-13-17(14(8-11)29(31)32)33-10-16(30)28(13)9-15-25-26-18(12-3-1-2-5-24-12)27(15)6-4-19(21,22)23/h1-3,5,7-8H,4,6,9-10H2
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| InChIKey |
NIEKJBWODUCWMK-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