General Information of the Compound
| Compound ID |
CP0465083
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| Compound Name |
6-chloro-4-((5-(5-chloropyridin-2-yl)-4-(3,3,3-trifluoropropyl)-4H-1,2,4-triazol-3-yl)methyl)-8-nitro-2H-benzo[b][1,4]oxazin-3(4H)-one
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| Structure |
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| Formula |
C19H13Cl2F3N6O4
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| Molecular Weight |
517.251
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| Canonical SMILES |
[O-][N+](=O)c1cc(Cl)cc2N(Cc3nnc(-c4ccc(Cl)cn4)n3CCC(F)(F)F)C(=O)COc12
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| InChI |
InChI=1S/C19H13Cl2F3N6O4/c20-10-1-2-12(25-7-10)18-27-26-15(28(18)4-3-19(22,23)24)8-29-13-5-11(21)6-14(30(32)33)17(13)34-9-16(29)31/h1-2,5-7H,3-4,8-9H2
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| InChIKey |
CYGGWTOVNXMRNL-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