General Information of the Compound
| Compound ID |
CP0556912
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| Compound Name |
US9067935, 50
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| Structure |
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| Formula |
C24H21F4N3O2S
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| Molecular Weight |
491.51
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| Canonical SMILES |
CC(C)c1c(nc2ccccn12)N(Cc1ccc(F)c(c1)C(F)(F)F)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C24H21F4N3O2S/c1-16(2)22-23(29-21-10-6-7-13-30(21)22)31(34(32,33)18-8-4-3-5-9-18)15-17-11-12-20(25)19(14-17)24(26,27)28/h3-14,16H,15H2,1-2H3
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| InChIKey |
AJJJFQDEOYXCNT-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