General Information of the Compound
| Compound ID |
CP0479619
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| Compound Name |
US9422293, 323
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| Structure |
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| Formula |
C28H31F3N6O2
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| Molecular Weight |
540.59
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| Canonical SMILES |
CN1CCCc2ccc(Nc3nc(OC4CCOC4)nc4CCN(CCc34)c3ncccc3C(F)(F)F)cc12
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| InChI |
InChI=1S/C28H31F3N6O2/c1-36-12-3-4-18-6-7-19(16-24(18)36)33-25-21-8-13-37(26-22(28(29,30)31)5-2-11-32-26)14-9-23(21)34-27(35-25)39-20-10-15-38-17-20/h2,5-7,11,16,20H,3-4,8-10,12-15,17H2,1H3,(H,33,34,35)
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| InChIKey |
NIWWFIQTYPSCGP-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