General Information of the Compound
| Compound ID |
CP0526060
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| Compound Name |
US9422293, 182
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| Structure |
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| Formula |
C25H28F3N5O
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| Molecular Weight |
471.527
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| Canonical SMILES |
CC(C)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(C)O)n1)c1ncccc1C(F)(F)F
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| InChI |
InChI=1S/C25H28F3N5O/c1-15(2)22-31-21-11-14-33(24-20(25(26,27)28)5-4-12-29-24)13-10-19(21)23(32-22)30-18-8-6-17(7-9-18)16(3)34/h4-9,12,15-16,34H,10-11,13-14H2,1-3H3,(H,30,31,32)
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| InChIKey |
MZZHVNCJSLWLPA-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