General Information of the Compound
| Compound ID |
CP0495300
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| Compound Name |
US9422293, 3
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| Structure |
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| Formula |
C27H30F3N5
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| Molecular Weight |
481.566
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| Canonical SMILES |
CC(C)(C)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)C2CC2)cc1
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| InChI |
InChI=1S/C27H30F3N5/c1-26(2,3)18-8-10-19(11-9-18)32-24-20-12-15-35(25-21(27(28,29)30)5-4-14-31-25)16-13-22(20)33-23(34-24)17-6-7-17/h4-5,8-11,14,17H,6-7,12-13,15-16H2,1-3H3,(H,32,33,34)
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| InChIKey |
KNJTWSLSHAXGKJ-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