General Information of the Compound
| Compound ID |
CP0285143
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| Compound Name |
MLS000583603
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| Structure |
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| Formula |
C20H14FN3O2S2
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| Molecular Weight |
411.483
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| Canonical SMILES |
Fc1ccc(CSc2nc3ccsc3c(=O)n2NC(=O)c2ccccc2)cc1
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| InChI |
InChI=1S/C20H14FN3O2S2/c21-15-8-6-13(7-9-15)12-28-20-22-16-10-11-27-17(16)19(26)24(20)23-18(25)14-4-2-1-3-5-14/h1-11H,12H2,(H,23,25)
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| InChIKey |
KVPGHBICSUXUCQ-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