General Information of the Compound
| Compound ID |
CP0419411
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| Compound Name |
US9422293, 137
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| Structure |
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| Formula |
C26H30F3N5
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| Molecular Weight |
469.555
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| Canonical SMILES |
CC(C)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)C(C)C)cc1
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| InChI |
InChI=1S/C26H30F3N5/c1-16(2)18-7-9-19(10-8-18)31-24-20-11-14-34(15-12-22(20)32-23(33-24)17(3)4)25-21(26(27,28)29)6-5-13-30-25/h5-10,13,16-17H,11-12,14-15H2,1-4H3,(H,31,32,33)
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| InChIKey |
AZJUYRRHHSCDJE-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