General Information of the Compound
| Compound ID |
CP0561155
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| Compound Name |
US8987445, 222
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| Structure |
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| Formula |
C28H24ClF3N2O5S
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| Molecular Weight |
593.023
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| Canonical SMILES |
COC(C)(c1ccc(CN(c2ncc3ccccc3c2C)S(=O)(=O)c2ccc(cc2)C(O)=O)cc1Cl)C(F)(F)F
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| InChI |
InChI=1S/C28H24ClF3N2O5S/c1-17-22-7-5-4-6-20(22)15-33-25(17)34(40(37,38)21-11-9-19(10-12-21)26(35)36)16-18-8-13-23(24(29)14-18)27(2,39-3)28(30,31)32/h4-15H,16H2,1-3H3,(H,35,36)
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| InChIKey |
IQBXVKMNIUDQGA-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