General Information of the Compound
| Compound ID |
CP0250148
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| Compound Name |
US9266835, 110
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| Structure |
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| Formula |
C31H30Cl2F3N3O4S
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| Molecular Weight |
668.565
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| Canonical SMILES |
COCCn1c2ccc(cc2c(NC2CCN(CC2)S(=O)(=O)C(F)(F)F)cc1=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C31H30Cl2F3N3O4S/c1-43-17-16-39-28-11-6-22(30(20-2-7-23(32)8-3-20)21-4-9-24(33)10-5-21)18-26(28)27(19-29(39)40)37-25-12-14-38(15-13-25)44(41,42)31(34,35)36/h2-11,18-19,25,30,37H,12-17H2,1H3
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| InChIKey |
ZELGEEWDZNQYLI-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