General Information of the Compound
| Compound ID |
CP0451528
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| Compound Name |
US9422293, 150
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| Structure |
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| Formula |
C25H19F6N5S
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| Molecular Weight |
535.517
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| Canonical SMILES |
FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)-c2ccsc2)cc1
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| InChI |
InChI=1S/C25H19F6N5S/c26-24(27,28)16-3-5-17(6-4-16)33-22-18-7-11-36(23-19(25(29,30)31)2-1-10-32-23)12-8-20(18)34-21(35-22)15-9-13-37-14-15/h1-6,9-10,13-14H,7-8,11-12H2,(H,33,34,35)
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| InChIKey |
JLUPPDDCRBRIEI-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
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1
Protein ID: PT01914, Transient receptor potential cation channel subfamily V member 1