General Information of the Compound
| Compound ID |
CP0464981
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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]-N-methylsulfonylmethanesulfonamide
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| Structure |
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| Formula |
C24H24Cl2F3N5O6S2
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| Molecular Weight |
670.519
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| Canonical SMILES |
CS(=O)(=O)N(c1cc(Cl)cc2N(Cc3nnc(CCc4ccc(Cl)cc4)n3CCC(F)(F)F)C(=O)COc12)S(C)(=O)=O
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| InChI |
InChI=1S/C24H24Cl2F3N5O6S2/c1-41(36,37)34(42(2,38)39)19-12-17(26)11-18-23(19)40-14-22(35)33(18)13-21-31-30-20(32(21)10-9-24(27,28)29)8-5-15-3-6-16(25)7-4-15/h3-4,6-7,11-12H,5,8-10,13-14H2,1-2H3
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| InChIKey |
CUFDFHMLBZXTGU-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