General Information of the Compound
| Compound ID |
CP0502726
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| Compound Name |
N-[6-chloro-4-[[5-[2-(4-chlorophenyl)ethyl]-4-(3,3,3-trifluoropropyl)-1,2,4-triazol-3-yl]methyl]-3-oxo-1,4-benzoxazin-8-yl]acetamide
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| Structure |
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| Formula |
C24H22Cl2F3N5O3
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| Molecular Weight |
556.372
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| Canonical SMILES |
CC(=O)Nc1cc(Cl)cc2N(Cc3nnc(CCc4ccc(Cl)cc4)n3CCC(F)(F)F)C(=O)COc12
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| InChI |
InChI=1S/C24H22Cl2F3N5O3/c1-14(35)30-18-10-17(26)11-19-23(18)37-13-22(36)34(19)12-21-32-31-20(33(21)9-8-24(27,28)29)7-4-15-2-5-16(25)6-3-15/h2-3,5-6,10-11H,4,7-9,12-13H2,1H3,(H,30,35)
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| InChIKey |
JQMOQZDUFOGXGS-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