General Information of the Compound
| Compound ID |
CP0426464
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| Compound Name |
US9067935, 10
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| Structure |
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| Formula |
C21H13ClF5N3O2S
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| Molecular Weight |
501.864
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| Canonical SMILES |
Fc1ccc(cc1)S(=O)(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)c1nc2ccccn2c1Cl
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| InChI |
InChI=1S/C21H13ClF5N3O2S/c22-19-20(28-18-3-1-2-10-29(18)19)30(33(31,32)15-7-5-14(23)6-8-15)12-13-4-9-17(24)16(11-13)21(25,26)27/h1-11H,12H2
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| InChIKey |
NDMWQJNPLSUJQP-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