General Information of the Compound
| Compound ID |
CP0566325
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| Compound Name |
US9434711, 328
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| Structure |
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| Formula |
C22H16F7N3O2S2
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| Molecular Weight |
551.509
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(Cc1ccc(F)c(c1)C(F)(F)F)S(=O)(=O)c1cn(C)nc1C(F)(F)F
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| InChI |
InChI=1S/C22H16F7N3O2S2/c1-12-14-5-3-4-6-17(14)35-20(12)32(10-13-7-8-16(23)15(9-13)21(24,25)26)36(33,34)18-11-31(2)30-19(18)22(27,28)29/h3-9,11H,10H2,1-2H3
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| InChIKey |
INSTZWJWGRZNJE-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