General Information of the Compound
| Compound ID |
CP0713772
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| Compound Name |
US9266835, 53
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| Structure |
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| Formula |
C28H23Cl3F3N3O3S
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| Molecular Weight |
644.93
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| Canonical SMILES |
O=c1cc(NC2CCN(S(=O)(=O)C(F)(F)F)CC2)c2cc(C(c3ccc(Cl)cc3)c3ccc(Cl)c(Cl)c3)ccc2[nH]1
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| InChI |
InChI=1S/C28H23Cl3F3N3O3S/c29-19-5-1-16(2-6-19)27(18-3-7-22(30)23(31)14-18)17-4-8-24-21(13-17)25(15-26(38)36-24)35-20-9-11-37(12-10-20)41(39,40)28(32,33)34/h1-8,13-15,20,27H,9-12H2,(H2,35,36,38)
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| InChIKey |
OCLQZCICNSPTMA-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