General Information of the Compound
| Compound ID |
CP0444922
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| Compound Name |
US9422293, 180
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| Structure |
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| Formula |
C28H30F6N6O
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| Molecular Weight |
580.577
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| Canonical SMILES |
CC(O)(c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCCCC2)cc1)C(F)(F)F
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| InChI |
InChI=1S/C28H30F6N6O/c1-26(41,28(32,33)34)18-7-9-19(10-8-18)36-23-20-11-16-39(24-21(27(29,30)31)6-5-13-35-24)17-12-22(20)37-25(38-23)40-14-3-2-4-15-40/h5-10,13,41H,2-4,11-12,14-17H2,1H3,(H,36,37,38)
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| InChIKey |
MHRUOIKRPIRMOQ-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