General Information of the Compound
| Compound ID |
CP0474807
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| Compound Name |
US9422293, 394
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| Structure |
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| Formula |
C26H28ClF3N6O
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| Molecular Weight |
532.998
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| Canonical SMILES |
OCc1cnc(N2CCc3nc(nc(Nc4ccc(cc4)C(F)(F)F)c3CC2)N2CCCCC2)c(Cl)c1
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| InChI |
InChI=1S/C26H28ClF3N6O/c27-21-14-17(16-37)15-31-24(21)35-12-8-20-22(9-13-35)33-25(36-10-2-1-3-11-36)34-23(20)32-19-6-4-18(5-7-19)26(28,29)30/h4-7,14-15,37H,1-3,8-13,16H2,(H,32,33,34)
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| InChIKey |
WFOHHQXMVNVTQL-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