General Information of the Compound
| Compound ID |
CP0539862
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| Compound Name |
US9422293, 165
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| Structure |
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| Formula |
C26H30F3N7
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| Molecular Weight |
497.569
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| Canonical SMILES |
CC(C)c1nc2CCN(CCc2c(Nc2ccc(nc2)N2CCCC2)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C26H30F3N7/c1-17(2)23-33-21-10-15-36(25-20(26(27,28)29)6-5-11-30-25)14-9-19(21)24(34-23)32-18-7-8-22(31-16-18)35-12-3-4-13-35/h5-8,11,16-17H,3-4,9-10,12-15H2,1-2H3,(H,32,33,34)
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| InChIKey |
CRBOMMQORWYCSW-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: PT01914, Transient receptor potential cation channel subfamily V member 1
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1