General Information of the Compound
| Compound ID |
CP0474806
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| Compound Name |
US9422293, 102
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| Structure |
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| Formula |
C32H31F6N7
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| Molecular Weight |
627.637
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| Canonical SMILES |
FC(F)(F)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCN(Cc3ccccc3)CC2)cc1
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| InChI |
InChI=1S/C32H31F6N7/c33-31(34,35)23-8-10-24(11-9-23)40-28-25-12-15-44(29-26(32(36,37)38)7-4-14-39-29)16-13-27(25)41-30(42-28)45-19-17-43(18-20-45)21-22-5-2-1-3-6-22/h1-11,14H,12-13,15-21H2,(H,40,41,42)
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| InChIKey |
HYZPJGLHFHZDQO-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