General Information of the Compound
| Compound ID |
CP0472838
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| Compound Name |
US9067935, 82
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| Structure |
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| Formula |
C23H18ClF4N3O2S
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| Molecular Weight |
511.928
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| Canonical SMILES |
CCc1c(nc2ccc(Cl)cn12)N(Cc1ccc(F)c(c1)C(F)(F)F)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C23H18ClF4N3O2S/c1-2-20-22(29-21-11-9-16(24)14-30(20)21)31(34(32,33)17-6-4-3-5-7-17)13-15-8-10-19(25)18(12-15)23(26,27)28/h3-12,14H,2,13H2,1H3
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| InChIKey |
MQIVEIPCFCVVII-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