General Information of the Compound
| Compound ID |
CP0524494
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| Compound Name |
6,8-dichloro-4-((5-((4-chlorophenoxy)methyl)-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 |
C21H16Cl3F3N4O3
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| Molecular Weight |
535.737
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| Canonical SMILES |
FC(F)(F)CCn1c(COc2ccc(Cl)cc2)nnc1CN1C(=O)COc2c(Cl)cc(Cl)cc12
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| InChI |
InChI=1S/C21H16Cl3F3N4O3/c22-12-1-3-14(4-2-12)33-10-18-29-28-17(30(18)6-5-21(25,26)27)9-31-16-8-13(23)7-15(24)20(16)34-11-19(31)32/h1-4,7-8H,5-6,9-11H2
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| InChIKey |
IPVUVLXPSCDUAV-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