General Information of the Compound
| Compound ID |
CP0494447
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| Compound Name |
6,8-dichloro-4-[[5-(2-phenylcyclopropyl)-4-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]methyl]-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C23H19Cl2F3N4O2
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| Molecular Weight |
511.331
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| Canonical SMILES |
FC(F)(F)CCn1c(CN2C(=O)COc3c(Cl)cc(Cl)cc23)nnc1C1CC1c1ccccc1
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| InChI |
InChI=1S/C23H19Cl2F3N4O2/c24-14-8-17(25)21-18(9-14)32(20(33)12-34-21)11-19-29-30-22(31(19)7-6-23(26,27)28)16-10-15(16)13-4-2-1-3-5-13/h1-5,8-9,15-16H,6-7,10-12H2
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| InChIKey |
JEROQPSJIRUKDH-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