General Information of the Compound
| Compound ID |
CP0572472
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| Compound Name |
US9434711, 812
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| Structure |
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| Formula |
C23H23F3N4O3S2
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| Molecular Weight |
524.59
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(CCCCC(F)(F)F)S(=O)(=O)c1ccc(cc1)-c1nn(C)c(=O)[nH]1
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| InChI |
InChI=1S/C23H23F3N4O3S2/c1-15-18-7-3-4-8-19(18)34-21(15)30(14-6-5-13-23(24,25)26)35(32,33)17-11-9-16(10-12-17)20-27-22(31)29(2)28-20/h3-4,7-12H,5-6,13-14H2,1-2H3,(H,27,28,31)
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| InChIKey |
WFMNROGUUTYAHL-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