General Information of the Compound
| Compound ID |
CP0531721
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| Compound Name |
US9434711, 805
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| Structure |
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| Formula |
C23H17F3N6O3S2
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| Molecular Weight |
546.556
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)c1ccc(nc1)-c1nnn[nH]1
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| InChI |
InChI=1S/C23H17F3N6O3S2/c1-14-18-4-2-3-5-20(18)36-22(14)32(13-15-6-8-16(9-7-15)35-23(24,25)26)37(33,34)17-10-11-19(27-12-17)21-28-30-31-29-21/h2-12H,13H2,1H3,(H,28,29,30,31)
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| InChIKey |
PUBWCKSRPQMGRL-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